Pyrazoles

Organic heterocyclic compounds that consists of a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms with the formula: C₃H₃N₂H.

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Bendazac, Thermo Scientific Chemicals

CAS: 20187-55-7 Molecular Formula: C16H13N2NaO3 Molecular Weight (g/mol): 304.28 InChI Key: GHFGHIKJGVMEFT-UHFFFAOYSA-M IUPAC Name: sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate SMILES: [Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12

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CAS	20187-55-7
Molecular Weight (g/mol)	304.28
SMILES	[Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12
IUPAC Name	sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate
InChI Key	GHFGHIKJGVMEFT-UHFFFAOYSA-M
Molecular Formula	C16H13N2NaO3

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Allopurinol, USP, 98-102%, Spectrum™ Chemical

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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Specifications

CAS	315-30-0
Molecular Weight (g/mol)	136.11
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
IUPAC Name	1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

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3-Nitro-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 26621-44-3 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159621,MFCD00238787 InChI Key: MZRUFMBFIKGOAL-UHFFFAOYSA-N Synonym: 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole PubChem CID: 123419 IUPAC Name: 5-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=NN1

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PubChem CID	123419
CAS	26621-44-3
Molecular Weight (g/mol)	113.08
MDL Number	MFCD00159621,MFCD00238787
SMILES	[O-][N+](=O)C1=CC=NN1
Synonym	3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole
IUPAC Name	5-nitro-1H-pyrazole
InChI Key	MZRUFMBFIKGOAL-UHFFFAOYSA-N
Molecular Formula	C3H3N3O2

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3,5-Dichloro-1H-indazole, 95%, Thermo Scientific Chemicals

CAS: 36760-20-0 Molecular Formula: C7H4Cl2N2 Molecular Weight (g/mol): 187.023 MDL Number: MFCD09263200 InChI Key: QQZISIWJMCCCNH-UHFFFAOYSA-N Synonym: 3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole PubChem CID: 268460 IUPAC Name: 3,5-dichloro-2H-indazole SMILES: C1=CC2=NNC(=C2C=C1Cl)Cl

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Specifications

PubChem CID	268460
CAS	36760-20-0
Molecular Weight (g/mol)	187.023
MDL Number	MFCD09263200
SMILES	C1=CC2=NNC(=C2C=C1Cl)Cl
Synonym	3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole
IUPAC Name	3,5-dichloro-2H-indazole
InChI Key	QQZISIWJMCCCNH-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2N2

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1H-Indazol-6-ylboronic acid, 97%, Thermo Scientific Chemicals

CAS: 885068-10-0 Molecular Formula: C7H7BN2O2 Molecular Weight (g/mol): 161.96 MDL Number: MFCD04972419 InChI Key: ZKNLCHWRWRYPGG-UHFFFAOYSA-N Synonym: 6-indazolyboronic acid,1h-indazol-6-yl-6-boronic acid,1h-indazole-6-boronic acid,indazole-6-boronic acid,1h-indazol-6-yl boronic acid,6-indazolboronic acid,boronic acid, 1h-indazol-6-yl,1h-indazole-6-boronicacid,6-indazoleboronicacid,zlchem 1076 PubChem CID: 24728617 IUPAC Name: 1H-indazol-6-ylboronic acid SMILES: OB(O)C1=CC=C2C=NNC2=C1

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Specifications

PubChem CID	24728617
CAS	885068-10-0
Molecular Weight (g/mol)	161.96
MDL Number	MFCD04972419
SMILES	OB(O)C1=CC=C2C=NNC2=C1
Synonym	6-indazolyboronic acid,1h-indazol-6-yl-6-boronic acid,1h-indazole-6-boronic acid,indazole-6-boronic acid,1h-indazol-6-yl boronic acid,6-indazolboronic acid,boronic acid, 1h-indazol-6-yl,1h-indazole-6-boronicacid,6-indazoleboronicacid,zlchem 1076
IUPAC Name	1H-indazol-6-ylboronic acid
InChI Key	ZKNLCHWRWRYPGG-UHFFFAOYSA-N
Molecular Formula	C7H7BN2O2

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1H-Indazole-7-carboxylic acid, 97%, Thermo Scientific Chemicals

CAS: 677304-69-7 Molecular Formula: C₈H₆N₂O₂ Molecular Weight (g/mol): 162.15 MDL Number: MFCD06804572 InChI Key: WBCWIQCXHSXMDH-UHFFFAOYSA-N Synonym: 7-carboxy-1h-indazole,1h-indazole-7-carboxylicacid,indazole-7-carboxylic acid,7-indazole carboxylic acid,pubchem17673,acmc-1bl1h,ksc351o8t,2h-indazole-7-carboxylic acid,7-1h indazole carboxylic acid PubChem CID: 12639205 IUPAC Name: 1H-indazole-7-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)NN=C2

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Specifications

PubChem CID	12639205
CAS	677304-69-7
Molecular Weight (g/mol)	162.15
MDL Number	MFCD06804572
SMILES	C1=CC2=C(C(=C1)C(=O)O)NN=C2
Synonym	7-carboxy-1h-indazole,1h-indazole-7-carboxylicacid,indazole-7-carboxylic acid,7-indazole carboxylic acid,pubchem17673,acmc-1bl1h,ksc351o8t,2h-indazole-7-carboxylic acid,7-1h indazole carboxylic acid
IUPAC Name	1H-indazole-7-carboxylic acid
InChI Key	WBCWIQCXHSXMDH-UHFFFAOYSA-N
Molecular Formula	C₈H₆N₂O₂

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3-Amino-5-bromo-1H-indazole, 97%, Thermo Scientific Chemicals

CAS: 61272-71-7 Molecular Formula: C7H6BrN3 Molecular Weight (g/mol): 212.05 MDL Number: MFCD03426696 InChI Key: OMPYFDJVSAMSMA-UHFFFAOYSA-N Synonym: 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine PubChem CID: 817910 IUPAC Name: 5-bromo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(Br)C=C12

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Specifications

PubChem CID	817910
CAS	61272-71-7
Molecular Weight (g/mol)	212.05
MDL Number	MFCD03426696
SMILES	NC1=NNC2=CC=C(Br)C=C12
Synonym	3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine
IUPAC Name	5-bromo-1H-indazol-3-amine
InChI Key	OMPYFDJVSAMSMA-UHFFFAOYSA-N
Molecular Formula	C7H6BrN3

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3-Amino-6-bromo-1H-indazole, 95%, Thermo Scientific Chemicals

CAS: 404827-77-6 Molecular Formula: C₇H₆BrN₃ Molecular Weight (g/mol): 212.05 MDL Number: MFCD05665872 InChI Key: WLDHNAMVDBASAW-UHFFFAOYSA-N Synonym: 3-amino-6-bromo-1h-indazole,6-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 6-bromo,6-bromo-1h-indazole-3-amine,pubchem17937,acmc-209jef,6-bromo-3-amino-1h-indazole,1h-indazol-3-amine,6-bromo,3-amino-6-bromoindazole,6-bromo-1h-indazole-3-ylamine PubChem CID: 2786631 IUPAC Name: 6-bromo-1H-indazol-3-amine SMILES: C1=CC2=C(C=C1Br)NN=C2N

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Specifications

PubChem CID	2786631
CAS	404827-77-6
Molecular Weight (g/mol)	212.05
MDL Number	MFCD05665872
SMILES	C1=CC2=C(C=C1Br)NN=C2N
Synonym	3-amino-6-bromo-1h-indazole,6-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 6-bromo,6-bromo-1h-indazole-3-amine,pubchem17937,acmc-209jef,6-bromo-3-amino-1h-indazole,1h-indazol-3-amine,6-bromo,3-amino-6-bromoindazole,6-bromo-1h-indazole-3-ylamine
IUPAC Name	6-bromo-1H-indazol-3-amine
InChI Key	WLDHNAMVDBASAW-UHFFFAOYSA-N
Molecular Formula	C₇H₆BrN₃

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5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 852227-86-2 Molecular Formula: C6H9ClN2 Molecular Weight (g/mol): 144.60 MDL Number: MFCD07368502 InChI Key: SGEZKPNUNBVVLB-UHFFFAOYSA-N PubChem CID: 4961270 IUPAC Name: 5-(chloromethyl)-1,3-dimethylpyrazole SMILES: CN1N=C(C)C=C1CCl

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Specifications

PubChem CID	4961270
CAS	852227-86-2
Molecular Weight (g/mol)	144.60
MDL Number	MFCD07368502
SMILES	CN1N=C(C)C=C1CCl
IUPAC Name	5-(chloromethyl)-1,3-dimethylpyrazole
InChI Key	SGEZKPNUNBVVLB-UHFFFAOYSA-N
Molecular Formula	C6H9ClN2

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6-Bromo-2-methyl-2H-indazole, 97%, Thermo Scientific Chemicals

CAS: 590417-95-1 Molecular Formula: C₈H₇BrN₂ Molecular Weight (g/mol): 211.06 InChI Key: BVYFYDANLZQCPV-UHFFFAOYSA-N Synonym: 6-bromo-2-methyl-2h-indazole,2-methyl-6-bromoindazole,2h-indazole, 6-bromo-2-methyl,pubchem20671,acmc-209m9q,boron-mol bm788,6-bromo-2-methyl-indazole,2h-indazole,6-bromo-2-methyl PubChem CID: 22558624 IUPAC Name: 6-bromo-2-methylindazole SMILES: CN1C=C2C=CC(=CC2=N1)Br

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Specifications

PubChem CID	22558624
CAS	590417-95-1
Molecular Weight (g/mol)	211.06
SMILES	CN1C=C2C=CC(=CC2=N1)Br
Synonym	6-bromo-2-methyl-2h-indazole,2-methyl-6-bromoindazole,2h-indazole, 6-bromo-2-methyl,pubchem20671,acmc-209m9q,boron-mol bm788,6-bromo-2-methyl-indazole,2h-indazole,6-bromo-2-methyl
IUPAC Name	6-bromo-2-methylindazole
InChI Key	BVYFYDANLZQCPV-UHFFFAOYSA-N
Molecular Formula	C₈H₇BrN₂

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

CAS: 912569-73-4 Molecular Formula: C13H14F3N3O Molecular Weight (g/mol): 285.27 MDL Number: MFCD09817546 InChI Key: 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-(trifluoromethyl)pyrazol-4-yl]methanamine SMILES: CNCC1=C(N(N=C1C(F)(F)F)C)OC2=CC=CC=C2

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Specifications

PubChem CID	24229724
CAS	912569-73-4
Molecular Weight (g/mol)	285.27
MDL Number	MFCD09817546
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
IUPAC Name	N-methyl-1-[1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazol-4-yl]methanamine
InChI Key	AJQKRVBDVZVOBK-UHFFFAOYSA-N
Molecular Formula	C13H14F3N3O

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N,N'-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine, 98+%

CAS: 152120-55-3 Molecular Formula: C20H18N4O4 Molecular Weight (g/mol): 378.388 MDL Number: MFCD02683516 InChI Key: NRBUVVTTYMTSKM-UHFFFAOYSA-N Synonym: n,n'-bis-z-1-guanylpyrazole,n,n'-bis benzyloxycarbonyl-1h-pyrazole-1-carboxamidine,n,n-bisbenzyloxycarbonyl-1-guanylpyrazole,benzyl benzyloxy carbonyl amino 1h-pyrazol-1-yl methylene carbamate,pyrazole z 2,pyrazol z 2,n,n'-bs-z-1-guanylpyrazole,n,n;-bis-z-1-guanylpyrazole,benzyl n-1z-benzyloxy carbonyl imino pyrazol-1-yl methyl carbamate,n,n'-di-cbz-1h-pyrazole-1-carbo PubChem CID: 6371643 IUPAC Name: benzyl (NZ)-N-[phenylmethoxycarbonylamino(pyrazol-1-yl)methylidene]carbamate SMILES: C1=CC=C(C=C1)COC(=O)NC(=NC(=O)OCC2=CC=CC=C2)N3C=CC=N3

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Specifications

PubChem CID	6371643
CAS	152120-55-3
Molecular Weight (g/mol)	378.388
MDL Number	MFCD02683516
SMILES	C1=CC=C(C=C1)COC(=O)NC(=NC(=O)OCC2=CC=CC=C2)N3C=CC=N3
Synonym	n,n'-bis-z-1-guanylpyrazole,n,n'-bis benzyloxycarbonyl-1h-pyrazole-1-carboxamidine,n,n-bisbenzyloxycarbonyl-1-guanylpyrazole,benzyl benzyloxy carbonyl amino 1h-pyrazol-1-yl methylene carbamate,pyrazole z 2,pyrazol z 2,n,n'-bs-z-1-guanylpyrazole,n,n;-bis-z-1-guanylpyrazole,benzyl n-1z-benzyloxy carbonyl imino pyrazol-1-yl methyl carbamate,n,n'-di-cbz-1h-pyrazole-1-carbo
IUPAC Name	benzyl (NZ)-N-[phenylmethoxycarbonylamino(pyrazol-1-yl)methylidene]carbamate
InChI Key	NRBUVVTTYMTSKM-UHFFFAOYSA-N
Molecular Formula	C20H18N4O4

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5-Amino-1H-indazole, 98%

CAS: 19335-11-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD00037975 InChI Key: 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-amine SMILES: C1=CC2=C(C=C1N)C=NN2

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Specifications

PubChem CID	88012
CAS	19335-11-6
Molecular Weight (g/mol)	133.154
MDL Number	MFCD00037975
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
IUPAC Name	1H-indazol-5-amine
InChI Key	XBTOSRUBOXQWBO-UHFFFAOYSA-N
Molecular Formula	C7H7N3

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4-Bromo-1H-indazole, 97+%

CAS: 186407-74-9 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD05664001 InChI Key: KJIODOACRIRBPB-UHFFFAOYSA-N Synonym: 4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole PubChem CID: 22352548 IUPAC Name: 4-bromo-1H-indazole SMILES: C1=CC2=C(C=NN2)C(=C1)Br

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Specifications

PubChem CID	22352548
CAS	186407-74-9
Molecular Weight (g/mol)	197.035
MDL Number	MFCD05664001
SMILES	C1=CC2=C(C=NN2)C(=C1)Br
Synonym	4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole
IUPAC Name	4-bromo-1H-indazole
InChI Key	KJIODOACRIRBPB-UHFFFAOYSA-N
Molecular Formula	C7H5BrN2

1,3,5-Trimethyl-1H-pyrazol-4-amine, 97%, Thermo Scientific™

CAS: 28466-21-9 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.175 MDL Number: MFCD00052883 InChI Key: SSDGMKHZMNTWLS-UHFFFAOYSA-N Synonym: 1,3,5-trimethyl-1h-pyrazol-4-amine,4-amino-1,3,5-trimethylpyrazole,trimethyl-1h-pyrazol-4-amine,pyrazole, 4-amino-1,3,5-trimethyl,4-amino-1,3,5-trimethyl-1h-pyrazole,trimethylpyrazol-4-amine,1,3,5-trimethyl-1h-pyrazol-4-ylamine,1h-pyrazol-4-amine, 1,3,5-trimethyl,1,3,5-trimethyl-1h-pyrazole-4-amine,1,3,5-trimethylpyrazole-4-ylamine PubChem CID: 161603 IUPAC Name: 1,3,5-trimethylpyrazol-4-amine SMILES: CC1=C(C(=NN1C)C)N

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Specifications

PubChem CID	161603
CAS	28466-21-9
Molecular Weight (g/mol)	125.175
MDL Number	MFCD00052883
SMILES	CC1=C(C(=NN1C)C)N
Synonym	1,3,5-trimethyl-1h-pyrazol-4-amine,4-amino-1,3,5-trimethylpyrazole,trimethyl-1h-pyrazol-4-amine,pyrazole, 4-amino-1,3,5-trimethyl,4-amino-1,3,5-trimethyl-1h-pyrazole,trimethylpyrazol-4-amine,1,3,5-trimethyl-1h-pyrazol-4-ylamine,1h-pyrazol-4-amine, 1,3,5-trimethyl,1,3,5-trimethyl-1h-pyrazole-4-amine,1,3,5-trimethylpyrazole-4-ylamine
IUPAC Name	1,3,5-trimethylpyrazol-4-amine
InChI Key	SSDGMKHZMNTWLS-UHFFFAOYSA-N
Molecular Formula	C6H11N3

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Allopurinol, USP, 98-102%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Allopurinol, USP, 98-102%, Spectrum™ Chemical