Pyrazole-4-carboxylic acid
Properties
- Molecular formula
- C4H4N2O2
- Molar mass
- 112.09 g/mol
- Exact mass
- 112.0273 Da
- Melting point
- 279–280 °C (decomposes)
- logP
- 0.11Crippen estimate
- Polar surface area
- 66.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
37718-11-9SMILES
O=C(O)c1cn[nH]c1InChIKey
IMBBXSASDSZJSX-UHFFFAOYSA-NInChI
InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 1H-Pyrazole-4-carboxylic acid
- 4-Carboxypyrazole
Work with Pyrazole-4-carboxylic acid
Similar compounds
4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-663 % similar
5-Pyrimidinecarboxylic acid4595-61-356 % similar
1-(1H-Pyrazol-4-yl)-ethanone25016-16-453 % similar
2-Amino-5-pyrimidinecarboxylic acid3167-50-850 % similar
2-Chloropyrimidine-5-carboxylic acid374068-01-650 % similar
Methyl 1H-pyrazole-4-carboxylate51105-90-948 % similar
2-Methylpyrimidine-5-carboxylic acid5194-32-148 % similar
Dinicotinic acid499-81-048 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.