Basic information
- Standard SMILES
Cn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(C(F)(F)F)n1- InChIKey
RYGCGYGIRWEINH-UHFFFAOYSA-N- Molecular formula
- C18H13ClF3N3O
- Average molar mass
- 379.8 g/mol
Names & identifiers
- Preferred name
- 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid (4'-chlorobiphenyl-2-yl) amide
- IUPAC
- N-[2-(4-chlorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Names & synonyms
1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid (4'-chlorobiphenyl-2-yl) amideSCHEMBL14578046
Database identifiers
- PubChem CID
- 58799476
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 497
Related reactions
3 records
Compound notes
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