chempirical

4-(1H-Pyrazol-5-yl)benzoic acid

C10H8N2O2CAS 208511-67-5188.19 g/mol

Open in Covalent MOL file
NNHOOH
Carboxylic acid

Properties

Molecular formula
C10H8N2O2
Molar mass
188.19 g/mol
Exact mass
188.0586 Da
logP
1.77Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 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
208511-67-5
SMILES
C1=CC(=CC=C1C2=CC=NN2)C(=O)O
InChIKey
RFJWCCHRWJSWGI-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)(H,13,14)

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Names and synonyms

1 names
  • 3-(4-Carboxyphenyl)pyrazole

Work with 4-(1H-Pyrazol-5-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

[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-457 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-257 % similar 4-(4-Pyridyl)benzoic acid4385-76-656 % similar 1H-Pyrazole-5-carboxylic acid1621-91-653 % similar 2,4,6-Tris(4-carboxyphenyl)-1,3,5-triazine61414-16-253 % similar Terephthalic acid100-21-052 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-252 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-252 % 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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