Basic information
- Standard SMILES
O=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1cnn(-c2ccccc2)c1C(F)(F)F- InChIKey
VNMSXHICPXHQLG-UHFFFAOYSA-N- Molecular formula
- C25H20F7N5O3
- Average molar mass
- 571.4 g/mol
Names & identifiers
- Preferred name
- 1-phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid {2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
- IUPAC
- N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Names & synonyms
1-phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid {2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amideSCHEMBL1222066
Database identifiers
- PubChem CID
- 25166301
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 919
Related reactions
2 records
Compound notes
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