1-(4-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
62160-78-5- Standard SMILES
Cc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1- InChIKey
ZQCKHZYYTPVCSB-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10552769
Names & identifiers
- Preferred name
- 1-(4-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
Names & synonyms
62160-78-51-(4-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid5-Phenyl-1-(p-tolyl)-1H-pyrazole-3-carboxylic acid1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid4N-640SMLS000521440SCHEMBL1514335CHEMBL1489796DTXSID10353731HMS2453I13STL482471AKOS001676379
Show more names
SMR000131848EU-00795865-Phenyl-1-(p-tolyl)-1H-pyrazole-3-carboxylicacid
Database identifiers
- CAS
62160-78-5- PubChem CID
- 750183
- DTXSID
DTXSID10353731- ChEMBL
CHEMBL1489796
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
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Compound notes
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