Basic information
- Standard SMILES
O=C(Nc1ccc(N2CCCCC2)cc1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cccc(CBr)c1- InChIKey
YQAOJCLVQAFRBM-UHFFFAOYSA-N- Molecular formula
- C30H27BrF3N5O2
- Average molar mass
- 626.5 g/mol
Names & identifiers
- Preferred name
- 2-(3-(bromomethyl)benzamido)-5-(piperidin-1-yl)-N-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)benzamide
- IUPAC
- 2-[[3-(bromomethyl)benzoyl]amino]-5-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
Names & synonyms
2-(3-(bromomethyl)benzamido)-5-(piperidin-1-yl)-N-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)benzamideSCHEMBL10226260
Database identifiers
- PubChem CID
- 68070101
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 889
Related reactions
2 records
Compound notes
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