chempirical

5-Methyl-1H-pyrazole-3-carboxylic acid

C5H6N2O2CAS 402-61-9126.11 g/mol

Open in Covalent MOL file
OHONNH
Carboxylic acid

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
Melting point
236 °C
logP
0.42Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
402-61-9
SMILES
Cc1cc(C(=O)O)n[nH]1
InChIKey
WSMQKESQZFQMFW-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1H-Pyrazole-3-carboxylic acid, 5-methyl-
  • Pyrazole-3-carboxylic acid, 5-methyl-
  • Pyrazole-3(or 5)-carboxylic acid, 5(or 3)-methyl-
  • U 19425
  • 5-Methylpyrazole-3-carboxylic acid
  • 3-Methylpyrazole-5-carboxylic acid
  • 5-Carboxy-3-methylpyrazole
  • 5-Methyl-3-carboxypyrazole
  • 3-Carboxy-5-methylpyrazole
  • AS 057278

Work with 5-Methyl-1H-pyrazole-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pyrazole-3,5-dicarboxylic acid3112-31-060 % similar 5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-856 % similar 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-156 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-051 % similar 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-250 % similar 5-Methyl-3-isoxazolecarboxylic acid3405-77-446 % similar 2,5-Pyrazinedicarboxylic acid122-05-443 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 1H-pyrazole-3-carboxylate15366-34-4 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-1 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 2-Furancarboxylic acid hydrazide3326-71-4 2-Methyl-4,6-pyrimidinedione40497-30-1 1,2-Dihydro-1-methyl-3,6-pyridazinedione5436-01-1 1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-7

Elsewhere

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