chempirical

2-(1H-Pyrazol-1-yl)benzoic acid

C10H8N2O2CAS 55317-53-8188.19 g/mol

Open in Covalent MOL file
OOHNN
Carboxylic acid

Properties

Molecular formula
C10H8N2O2
Molar mass
188.19 g/mol
Exact mass
188.0586 Da
logP
1.57Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
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
55317-53-8
SMILES
C1=CC=C(C(=C1)C(=O)O)N2C=CC=N2
InChIKey
MHACZVWKWUMHRR-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14)

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Names and synonyms

1 names
  • 2-Pyrazolylbenzoic acid

Work with 2-(1H-Pyrazol-1-yl)benzoic 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

2-(1H-Pyrrol-1-yl)benzoic acid10333-68-358 % similar 6-(1H-Pyrazol-1-yl)pyridine-3-carboxylic acid253315-22-951 % similar Phthalic acid88-99-350 % similar 2-(1H-Pyrazol-1-yl)benzaldehyde138479-47-748 % similar Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-446 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-646 % similar Diphenic acid482-05-346 % similar Ammonium phthalate523-24-046 % similar

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

Same formula

4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-6 4-(1H-Imidazol-2-yl)benzoic Acid108035-45-6 3-(1H-Imidazol-1-yl)benzoic acid108035-47-8 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-2 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-5 3-(4-Hydroxyphenyl)-2(1H)-pyrazinone126247-63-0 2-(1H-Imidazol-1-yl)benzoic acid159589-67-0 4-(1H-Pyrazol-1-yl)benzoic acid16209-00-0

Elsewhere

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