chempirical

Pyrazole-3,5-dicarboxylic acid

C5H4N2O4CAS 3112-31-0156.10 g/mol

Open in Covalent MOL file
OHOOOHNHN
Carboxylic acid

Properties

Molecular formula
C5H4N2O4
Molar mass
156.10 g/mol
Exact mass
156.0171 Da
Melting point
287 °C
logP
-0.19Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
3112-31-0
SMILES
O=C(O)c1cc(C(=O)O)[nH]n1
InChIKey
YDMVPJZBYSWOOP-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Pyrazole-3,5-dicarboxylic acid
  • 3,5-Dicarboxypyrazole
  • NSC 51108
  • 3,5-Pyrazoledicarboxylic acid

Work with Pyrazole-3,5-dicarboxylic 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

3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-170 % similar 5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-860 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-960 % similar 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-158 % similar 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-253 % similar 2,5-Pyrazinedicarboxylic acid122-05-446 % similar Chelidamic acid138-60-345 % similar 1H-Imidazole-5-carboxylic acid1072-84-044 % similar

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

Same formula

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid23945-44-0 4-Hydroxy-3-nitropyridine N-oxide31872-57-8 Imidazole-4,5-dicarboxylic acid570-22-9 Orotic acid65-86-1

Elsewhere

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