Basic information
- Standard SMILES
Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1=O- InChIKey
IBHWJBIXKDWHKW-UHFFFAOYSA-N- Molecular formula
- C21H21ClF3N5O
- Average molar mass
- 451.9 g/mol
- Monoisotopic mass
- 451.1386725
Names & identifiers
- Preferred name
- 1-[1-(4-Chlorophenyl)-5-isopropylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
- IUPAC
- 1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
Names & synonyms
1-[1-(4-chlorophenyl)-5-isopropylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-oneSCHEMBL15779006
Database identifiers
- PubChem CID
- 76282976
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 657
Related reactions
2 records
Compound notes
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