chempirical

Pyrazole-4-carboxylic acid

C4H4N2O2CAS 37718-11-9112.09 g/mol

Open in Covalent MOL file
OHONNH
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

Identifiers

CAS number
37718-11-9
SMILES
O=C(O)c1cn[nH]c1
InChIKey
IMBBXSASDSZJSX-UHFFFAOYSA-N
InChI
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

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

4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-663 % similar 5-Pyrimidinecarboxylic acid4595-61-356 % similar 2-Amino-5-pyrimidinecarboxylic acid3167-50-850 % similar Dinicotinic acid499-81-048 % similar Terephthalic acid100-21-046 % similar Trimesic acid554-95-046 % similar Pyrrole-3-carboxylic acid931-03-345 % similar Ethyl 1H-pyrazole-4-carboxylate37622-90-544 % similar

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

Same formula

1H-Imidazole-5-carboxylic acid1072-84-0 4,6-Dihydroxypyrimidine1193-24-4 Maleic hydrazide123-33-1 1H-Imidazole-2-carboxylic acid16042-25-4 Uracil66-22-8

Elsewhere

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