Pyrazole

Organische heterozyklische Verbindungen, die aus einem fünfgliedrigen Ring aus drei Kohlenstoffatomen und zwei benachbarten Stickstoffatomen mit folgender Formel bestehen: Câ‚ƒHâ‚ƒNâ‚‚H.

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3,5-Dimethylpyrazol, 99 %, Thermo Scientific Chemicals

CAS: 67-51-6 Summenformel: C5H8N2 Molekulargewicht (g/mol): 96.13 MDL-Nummer: MFCD00005243 InChI-Schlüssel: SDXAWLJRERMRKF-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 PubChem CID: 6210 IUPAC-Name: 3,5-Dimethyl-1H-Pyrazol SMILES: CC1=CC(C)=NN1

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InChI-Schlüssel	SDXAWLJRERMRKF-UHFFFAOYSA-N
IUPAC-Name	3,5-Dimethyl-1H-Pyrazol
PubChem CID	6210
CAS	67-51-6
MDL-Nummer	MFCD00005243
Molekulargewicht (g/mol)	96.13
SMILES	CC1=CC(C)=NN1
Synonym	3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256
Summenformel	C5H8N2

N,N'-Di-Boc-1H-Pyrazol-1-carboxamidin, ≥ 98 %, Thermo Scientific Chemicals

CAS: 152120-54-2 Summenformel: C14H22N4O4 Molekulargewicht (g/mol): 310.354 MDL-Nummer: MFCD01075122 InChI-Schlüssel: QFNFDHNZVTWZED-UHFFFAOYSA-N Synonym: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC-Name: Tert-Butyl (NZ)-N-[[(2-Methylpropan-2-yl)Oxycarbonylamino]-Pyrazol-1-ylmethyliden]Carbamat SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

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InChI-Schlüssel	QFNFDHNZVTWZED-UHFFFAOYSA-N
IUPAC-Name	Tert-Butyl (NZ)-N-[[(2-Methylpropan-2-yl)Oxycarbonylamino]-Pyrazol-1-ylmethyliden]Carbamat
PubChem CID	6383521
CAS	152120-54-2
MDL-Nummer	MFCD01075122
Molekulargewicht (g/mol)	310.354
SMILES	CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
Synonym	n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole
Summenformel	C14H22N4O4

4-Methylpyrazol, 97 %, Thermo Scientific Chemicals

CAS: 7554-65-6 Summenformel: C₄H₆N₂ Molekulargewicht (g/mol): 82.11 InChI-Schlüssel: RIKMMFOAQPJVMX-UHFFFAOYSA-N Synonym: 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn PubChem CID: 3406 ChEBI: CHEBI:5141 IUPAC-Name: 4-Methyl-1H-Pyrazol SMILES: CC1=CNN=C1

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InChI-Schlüssel	RIKMMFOAQPJVMX-UHFFFAOYSA-N
IUPAC-Name	4-Methyl-1H-Pyrazol
PubChem CID	3406
CAS	7554-65-6
ChEBI	CHEBI:5141
Molekulargewicht (g/mol)	82.11
SMILES	CC1=CNN=C1
Synonym	4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn
Summenformel	C₄H₆N₂

Benzydamine hydrochloride

CAS: 132-69-4 Summenformel: C19H24ClN3O Molekulargewicht (g/mol): 345.871 MDL-Nummer: MFCD00078957 InChI-Schlüssel: HNNIWKQLJSNAEQ-UHFFFAOYSA-N Synonym: benzydamine hydrochloride,benzydamine hcl,benalgin,benzindamine hydrochloride,benzidamine hydrochloride,benzidan,benzyrin,difflam,dorinamin,enzamin PubChem CID: 65464 IUPAC-Name: 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride SMILES: CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl

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InChI-Schlüssel	HNNIWKQLJSNAEQ-UHFFFAOYSA-N
IUPAC-Name	3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID	65464
CAS	132-69-4
MDL-Nummer	MFCD00078957
Molekulargewicht (g/mol)	345.871
SMILES	CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl
Synonym	benzydamine hydrochloride,benzydamine hcl,benalgin,benzindamine hydrochloride,benzidamine hydrochloride,benzidan,benzyrin,difflam,dorinamin,enzamin
Summenformel	C19H24ClN3O

5-(Chlormethyl)-1-methyl-3-thien-2-yl-1H-pyrazol, ≥ 97 %, Thermo Scientific™

CAS: 876316-96-0 Summenformel: C9H9ClN2S Molekulargewicht (g/mol): 212.695 MDL-Nummer: MFCD08435886 InChI-Schlüssel: GQMRXNSYTBKJTB-UHFFFAOYSA-N Synonym: 5-chloromethyl-1-methyl-3-thien-2-yl-1h-pyrazole,5-chloromethyl-1-methyl-3-thiophen-2-yl pyrazole,1h-pyrazole,5-chloromethyl-1-methyl-3-2-thienyl,2-5-chloromethyl-1-methylpyrazol-3-yl thiophene,5-chloromethyl-1-methyl-3-thiophen-2-yl-1h-pyrazole PubChem CID: 18525812 IUPAC-Name: 5-(Chlormethyl)-1-Methyl-3-Thiophen-2-ylpyrazol SMILES: CN1C(=CC(=N1)C2=CC=CS2)CCl

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InChI-Schlüssel	GQMRXNSYTBKJTB-UHFFFAOYSA-N
IUPAC-Name	5-(Chlormethyl)-1-Methyl-3-Thiophen-2-ylpyrazol
PubChem CID	18525812
CAS	876316-96-0
MDL-Nummer	MFCD08435886
Molekulargewicht (g/mol)	212.695
SMILES	CN1C(=CC(=N1)C2=CC=CS2)CCl
Synonym	5-chloromethyl-1-methyl-3-thien-2-yl-1h-pyrazole,5-chloromethyl-1-methyl-3-thiophen-2-yl pyrazole,1h-pyrazole,5-chloromethyl-1-methyl-3-2-thienyl,2-5-chloromethyl-1-methylpyrazol-3-yl thiophene,5-chloromethyl-1-methyl-3-thiophen-2-yl-1h-pyrazole
Summenformel	C9H9ClN2S

Tetrakis-(1-pyrazolyl)-borat, Kaliumsalz, 95 %, Thermo Scientific Chemicals

CAS: 14782-58-2 Summenformel: C₁₂H₁₂BKN₈ Molekulargewicht (g/mol): 318.2 MDL-Nummer: MFCD00800557 InChI-Schlüssel: RKBGLZQVHBLUBM-UHFFFAOYSA-N Synonym: tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide PubChem CID: 92043288 IUPAC-Name: Kalium;Tetra(Pyrazol-1-yloxy)Boranuid SMILES: [B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]

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InChI-Schlüssel	RKBGLZQVHBLUBM-UHFFFAOYSA-N
IUPAC-Name	Kalium;Tetra(Pyrazol-1-yloxy)Boranuid
PubChem CID	92043288
CAS	14782-58-2
MDL-Nummer	MFCD00800557
Molekulargewicht (g/mol)	318.2
SMILES	[B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]
Synonym	tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide
Summenformel	C₁₂H₁₂BKN₈

(1,5-Dimethyl-1H-pyrazol-3-yl)-methanol, 97 %, Thermo Scientific™

CAS: 153912-60-8 Summenformel: C6H10N2O Molekulargewicht (g/mol): 126.159 MDL-Nummer: MFCD03659702 InChI-Schlüssel: XJBMHIHXRARJJS-UHFFFAOYSA-N Synonym: 1,5-dimethyl-1h-pyrazol-3-yl methanol,1,5-dimethyl-1h-pyrazol-3-yl-methanol,1,5-dimethylpyrazol-3-yl methanol,3-hydroxymethyl-1,5-dimethyl-1h-pyrazole,1h-pyrazole-3-methanol,1,5-dimethyl,1,5-dimethyl-3-hydroxymethyl-1h-pyrazole,1,5-dimethyl-3-hydroxymethyl pyrazole,akos pao-0060,acmc-1cisl,1,5-dimethylpyrazole-3-methanol PubChem CID: 2776366 IUPAC-Name: (1,5-Dimethylpyrazol-3-yl)methanol SMILES: CC1=CC(=NN1C)CO

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InChI-Schlüssel	XJBMHIHXRARJJS-UHFFFAOYSA-N
IUPAC-Name	(1,5-Dimethylpyrazol-3-yl)methanol
PubChem CID	2776366
CAS	153912-60-8
MDL-Nummer	MFCD03659702
Molekulargewicht (g/mol)	126.159
SMILES	CC1=CC(=NN1C)CO
Synonym	1,5-dimethyl-1h-pyrazol-3-yl methanol,1,5-dimethyl-1h-pyrazol-3-yl-methanol,1,5-dimethylpyrazol-3-yl methanol,3-hydroxymethyl-1,5-dimethyl-1h-pyrazole,1h-pyrazole-3-methanol,1,5-dimethyl,1,5-dimethyl-3-hydroxymethyl-1h-pyrazole,1,5-dimethyl-3-hydroxymethyl pyrazole,akos pao-0060,acmc-1cisl,1,5-dimethylpyrazole-3-methanol
Summenformel	C6H10N2O

3-Amino-5-hydroxy-1H-pyrazol, 98 %, Thermo Scientific Chemicals

CAS: 6126-22-3 Summenformel: C3H5N3O Molekulargewicht (g/mol): 99.093 MDL-Nummer: MFCD00022384 InChI-Schlüssel: QZBGOTVBHYKUDS-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino PubChem CID: 96221 IUPAC-Name: 5-Amino-1,2-Dihydropyrazol-3-on SMILES: C1=C(NNC1=O)N

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InChI-Schlüssel	QZBGOTVBHYKUDS-UHFFFAOYSA-N
IUPAC-Name	5-Amino-1,2-Dihydropyrazol-3-on
PubChem CID	96221
CAS	6126-22-3
MDL-Nummer	MFCD00022384
Molekulargewicht (g/mol)	99.093
SMILES	C1=C(NNC1=O)N
Synonym	3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino
Summenformel	C3H5N3O

3-Methyl-4-nitro-1H-pyrazol, 97 %, Thermo Scientific Chemicals

CAS: 5334-39-4 Summenformel: C4H5N3O2 Molekulargewicht (g/mol): 127.10 MDL-Nummer: MFCD00037864 InChI-Schlüssel: WTZYTQJELOHMMJ-UHFFFAOYSA-N Synonym: 3-methyl-4-nitro-1h-pyrazole,3-methyl-4-nitropyrazole,1h-pyrazole, 3-methyl-4-nitro,3-methyl-4-nitro pyrazole,3-me-4-no2 pyrazole,5-methyl-4-nitropyrazole,acmc-209l6a,ksc497o4j,4-nitro-5-methyl-1h-pyrazole,3-methyl-4-nitro-1h-pyrazole # PubChem CID: 79255 IUPAC-Name: 5-Methyl-4-Nitro-1H-Pyrazol SMILES: CC1=C(C=NN1)[N+]([O-])=O

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InChI-Schlüssel	WTZYTQJELOHMMJ-UHFFFAOYSA-N
IUPAC-Name	5-Methyl-4-Nitro-1H-Pyrazol
PubChem CID	79255
CAS	5334-39-4
MDL-Nummer	MFCD00037864
Molekulargewicht (g/mol)	127.10
SMILES	CC1=C(C=NN1)[N+]([O-])=O
Synonym	3-methyl-4-nitro-1h-pyrazole,3-methyl-4-nitropyrazole,1h-pyrazole, 3-methyl-4-nitro,3-methyl-4-nitro pyrazole,3-me-4-no2 pyrazole,5-methyl-4-nitropyrazole,acmc-209l6a,ksc497o4j,4-nitro-5-methyl-1h-pyrazole,3-methyl-4-nitro-1h-pyrazole #
Summenformel	C4H5N3O2

N-Methyl-[1-methyl-5-phenoxy-3-(trifluormethyl)-1H-pyrazol-4-yl]methylamin, 90 %, Thermo Scientific™

CAS: 912569-73-4 Summenformel: C13H14F3N3O Molekulargewicht (g/mol): 285.27 MDL-Nummer: MFCD09817546 InChI-Schlüssel: AJQKRVBDVZVOBK-UHFFFAOYSA-N Synonym: methyl 1-methyl-5-phenoxy-3-trifluoromethyl pyrazol-4-yl methyl amine,n-methyl-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methylamine,n-methyl-1-methyl-5-phenoxy-3-1h-pyrazol-4-yl methylamine,n-methyl-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methylamine,97+%,n-methyl-1-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methanamine PubChem CID: 24229724 IUPAC-Name: N-Methyl-1-[1-Methyl-5-Phenoxy-3-(Trifluormethyl)Pyrazol-4-yl]Methanamin SMILES: CNCC1=C(N(N=C1C(F)(F)F)C)OC2=CC=CC=C2

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InChI-Schlüssel	AJQKRVBDVZVOBK-UHFFFAOYSA-N
IUPAC-Name	N-Methyl-1-[1-Methyl-5-Phenoxy-3-(Trifluormethyl)Pyrazol-4-yl]Methanamin
PubChem CID	24229724
CAS	912569-73-4
MDL-Nummer	MFCD09817546
Molekulargewicht (g/mol)	285.27
SMILES	CNCC1=C(N(N=C1C(F)(F)F)C)OC2=CC=CC=C2
Synonym	methyl 1-methyl-5-phenoxy-3-trifluoromethyl pyrazol-4-yl methyl amine,n-methyl-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methylamine,n-methyl-1-methyl-5-phenoxy-3-1h-pyrazol-4-yl methylamine,n-methyl-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methylamine,97+%,n-methyl-1-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methanamine
Summenformel	C13H14F3N3O

5-Amino-1H-indazol, 98 %, Thermo Scientific Chemicals

CAS: 19335-11-6 Summenformel: C7H7N3 Molekulargewicht (g/mol): 133.154 MDL-Nummer: MFCD00037975 InChI-Schlüssel: XBTOSRUBOXQWBO-UHFFFAOYSA-N Synonym: 5-aminoindazole,5-amino-1h-indazole,2h-indazol-5-amine,5-indazolamine,1h-indazole-5-amine,1h-indazol-5-ylamine,indazol-5-ylamine,1h-indazole, 5-amino,5-aminobenzopyrazole,5-amino-indazole PubChem CID: 88012 IUPAC-Name: 1H-Indazol-5-Amin SMILES: C1=CC2=C(C=C1N)C=NN2

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InChI-Schlüssel	XBTOSRUBOXQWBO-UHFFFAOYSA-N
IUPAC-Name	1H-Indazol-5-Amin
PubChem CID	88012
CAS	19335-11-6
MDL-Nummer	MFCD00037975
Molekulargewicht (g/mol)	133.154
SMILES	C1=CC2=C(C=C1N)C=NN2
Synonym	5-aminoindazole,5-amino-1h-indazole,2h-indazol-5-amine,5-indazolamine,1h-indazole-5-amine,1h-indazol-5-ylamine,indazol-5-ylamine,1h-indazole, 5-amino,5-aminobenzopyrazole,5-amino-indazole
Summenformel	C7H7N3

1H-Indazol-4-carboxylsäure, 97 %, Thermo Scientific™

CAS: 677306-38-6 Summenformel: C₈H₆N₂O₂ Molekulargewicht (g/mol): 162.15 MDL-Nummer: MFCD03840644 InChI-Schlüssel: KGKZHHIUOZGUNP-UHFFFAOYSA-N Synonym: indazole-4-carboxylic acid,1h-indazole-4-carboxylicacid,4-indazolecarboxylic acid,4-carboxy-1h-indazole,2h-indazole-4-carboxylic acid,pubchem19651,acmc-1b3os,ksc352q1d,1h-indazole-4-carboxylic acid,4-1h indazole carboxylic acid PubChem CID: 21982323 IUPAC-Name: 1H-Indazol-4-Carbonsäure SMILES: C1=CC(=C2C=NNC2=C1)C(=O)O

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InChI-Schlüssel	KGKZHHIUOZGUNP-UHFFFAOYSA-N
IUPAC-Name	1H-Indazol-4-Carbonsäure
PubChem CID	21982323
CAS	677306-38-6
MDL-Nummer	MFCD03840644
Molekulargewicht (g/mol)	162.15
SMILES	C1=CC(=C2C=NNC2=C1)C(=O)O
Synonym	indazole-4-carboxylic acid,1h-indazole-4-carboxylicacid,4-indazolecarboxylic acid,4-carboxy-1h-indazole,2h-indazole-4-carboxylic acid,pubchem19651,acmc-1b3os,ksc352q1d,1h-indazole-4-carboxylic acid,4-1h indazole carboxylic acid
Summenformel	C₈H₆N₂O₂

Thermo Scientific Chemicals 4-Hydroxypyrazol[3,4-d]pyrimidin, 98 %

CAS: 315-30-0 Summenformel: C5H4N4O Molekulargewicht (g/mol): 136.11 MDL-Nummer: MFCD00599413 InChI-Schlüssel: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC-Name: 1,2-Dihydropyrazol[3,4-d]Pyrimidin-4-on SMILES: O=C1N=CN=C2NNC=C12

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InChI-Schlüssel	OFCNXPDARWKPPY-UHFFFAOYSA-N
IUPAC-Name	1,2-Dihydropyrazol[3,4-d]Pyrimidin-4-on
PubChem CID	2094
CAS	315-30-0
ChEBI	CHEBI:40279
MDL-Nummer	MFCD00599413
Molekulargewicht (g/mol)	136.11
SMILES	O=C1N=CN=C2NNC=C12
Synonym	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
Summenformel	C5H4N4O

4-(1H-Pyrazol-1-ylmethyl)-benzoesäure, ≥ 97 %, Thermo Scientific™

CAS: 160388-53-4 Summenformel: C11H10N2O2 Molekulargewicht (g/mol): 202.213 MDL-Nummer: MFCD07186451 InChI-Schlüssel: ZHQQRHUITAFMTC-UHFFFAOYSA-N PubChem CID: 6484268 IUPAC-Name: 4-(Pyrazol-1-ylmethyl)Benzoesäure SMILES: C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)O

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InChI-Schlüssel	ZHQQRHUITAFMTC-UHFFFAOYSA-N
IUPAC-Name	4-(Pyrazol-1-ylmethyl)Benzoesäure
PubChem CID	6484268
CAS	160388-53-4
MDL-Nummer	MFCD07186451
Molekulargewicht (g/mol)	202.213
SMILES	C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)O
Summenformel	C11H10N2O2

3-Methylpyrazol 99 %, Thermo Scientific Chemicals

CAS: 1453-58-3 Summenformel: C4H6N2 Molekulargewicht (g/mol): 82.11 MDL-Nummer: MFCD00005240,MFCD08685900 InChI-Schlüssel: XKVUYEYANWFIJX-UHFFFAOYSA-N PubChem CID: 15073 IUPAC-Name: 5-Methyl-1H-Pyrazol SMILES: CC1=CC=NN1

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InChI-Schlüssel	XKVUYEYANWFIJX-UHFFFAOYSA-N
IUPAC-Name	5-Methyl-1H-Pyrazol
PubChem CID	15073
CAS	1453-58-3
MDL-Nummer	MFCD00005240,MFCD08685900
Molekulargewicht (g/mol)	82.11
SMILES	CC1=CC=NN1
Summenformel	C4H6N2

Pyrazole

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