5-Nitro-3-pyrazolecarboxylic acid

C₄H₃N₃O₄CAS 198348-89-9157.08 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro

Properties

Molecular formula: C₄H₃N₃O₄
Molar mass: 157.08 g/mol
Exact mass: 157.0124 Da
logP: 0.02Crippen estimate
Polar surface area: 109.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

198348-89-9

SMILES

C1=C(NN=C1C(=O)O)[N+](=O)[O-]

InChIKey

HKYHBMLIEAMWRO-UHFFFAOYSA-N

InChI

InChI=1S/C4H3N3O4/c8-4(9)2-1-3(6-5-2)7(10)11/h1H,(H,5,6)(H,8,9)

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Names and synonyms

1 names

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

Work with 5-Nitro-3-pyrazolecarboxylic 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 acid3112-31-053 % similar 4-Nitropicolinic acid13509-19-853 % similar 5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-850 % similar 6-Nitropyridine-2-carboxylic acid26893-68-550 % similar 5-Nitropicolinic acid30651-24-250 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-950 % similar 5-Nitroindazole-3-carboxylic acid78155-76-749 % similar 1H-Pyrazole-3,5-dicarboxylic acid monohydrate303180-11-249 % similar

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

Same formula

6-Hydroxy-5-nitro-4(3H)-pyrimidinone2164-83-2 1,2,3-Triazole-4,5-dicarboxylic acid4546-95-6 4-Nitro-1H-pyrazole-3-carboxylic acid5334-40-7 5-Nitro-2,4(1H,3H)-pyrimidinedione611-08-5 Violuric acid87-39-8

Elsewhere

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