Basic information
- Standard SMILES
Cc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(C)c1C(=O)O- InChIKey
AZGZGVTZQLCHRZ-UHFFFAOYSA-N- Molecular formula
- C20H17ClN2O2
- Average molar mass
- 352.8 g/mol
- Monoisotopic mass
- 352.0978555
Names & identifiers
- Preferred name
- 1-[3-[2-(4-Chlorophenyl)ethenyl]phenyl]-3,5-dimethylpyrazole-4-carboxylic acid
- IUPAC
- 1-[3-[2-(4-chlorophenyl)ethenyl]phenyl]-3,5-dimethylpyrazole-4-carboxylic acid
Names & synonyms
SCHEMBL2202649
Database identifiers
- PubChem CID
- 67315512
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
1 records
Compound notes
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