1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-acetylphenyl)-5-phenyl-
Basic information
- CAS
96723-54-5- Standard SMILES
CC(=O)c1ccc(-n2nc(C(=O)O)c(C(=O)O)c2-c2ccccc2)cc1- InChIKey
SOXWWGVVXSOSCF-UHFFFAOYSA-N- Molecular formula
- C19H14N2O5
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.09027155
Names & identifiers
- Preferred name
- 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-acetylphenyl)-5-phenyl-
- IUPAC
- 1-(4-acetylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid
Names & synonyms
96723-54-51H-Pyrazole-3,4-dicarboxylic acid, 1-(4-acetylphenyl)-5-phenyl-DTXSID202424651-(4-acetylphenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylic acid
Database identifiers
- CAS
96723-54-5- PubChem CID
- 178909
- DTXSID
DTXSID20242465
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 552
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Compound notes
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