Basic information
- Standard SMILES
Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1- InChIKey
ORKIKZMGYOIAKC-UHFFFAOYSA-N- Molecular formula
- C27H29ClF3N5O2
- Average molar mass
- 548 g/mol
- Monoisotopic mass
- 547.1961874
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-5-methyl-N-[4-(4-morpholinopiperidin-1-yl)-3-trifluoromethylphenyl]pyrazole-4-carboxamide
- IUPAC
- 1-(4-chlorophenyl)-5-methyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
Names & synonyms
1-(4-Chlorophenyl)-5-methyl-N-[4-(4-morpholinopiperidin-1-yl)-3-trifluoromethylphenyl]pyrazole-4-carboxamideSCHEMBL6052652
Database identifiers
- PubChem CID
- 22227989
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 785
Related reactions
2 records
Compound notes
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