Basic information
- Standard SMILES
O=C(Cn1nc(C(F)(F)F)c(Cl)c1-c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1- InChIKey
MZUHBUYSTLUYDZ-UHFFFAOYSA-N- Molecular formula
- C22H19Cl2F3N4O
- Average molar mass
- 483.3 g/mol
- Monoisotopic mass
- 482.0888011
Names & identifiers
- Preferred name
- 1-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2-(4-chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
- IUPAC
- 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Names & synonyms
1-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2-(4-chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-ethanoneSCHEMBL2876070
Database identifiers
- PubChem CID
- 21070997
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 633
Related reactions
3 records
Compound notes
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