Basic information
- Standard SMILES
Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1- InChIKey
ZTLHAJIWLDNHQA-UHFFFAOYSA-N- Molecular formula
- C28H29F3N6O2
- Average molar mass
- 538.6 g/mol
- Monoisotopic mass
- 538.23040868
Names & identifiers
- Preferred name
- N-[3-Cyano-4-(4-morpholinopiperidin-1-yl)phenyl]-1-(3-trifluoromethylphenyl)-5-methylpyrazole-4-carboxamide
- IUPAC
- N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
Names & synonyms
N-[3-Cyano-4-(4-morpholinopiperidin-1-yl)phenyl]-1-(3-trifluoromethylphenyl)-5-methylpyrazole-4-carboxamideSCHEMBL6052617
Database identifiers
- PubChem CID
- 22227985
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 882
Related reactions
2 records
Compound notes
Loading…