5-Amino-N-(2-{[[(2-chloro-6-fluorophenyl)carbonyl](methyl)amino]methyl}-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
Basic information
- Standard SMILES
CN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(F)cccc1Cl- InChIKey
GQORTXAMANJHLR-UHFFFAOYSA-N- Molecular formula
- C22H19ClF5N5O3
- Average molar mass
- 531.9 g/mol
Names & identifiers
- Preferred name
- 5-Amino-N-(2-{[[(2-chloro-6-fluorophenyl)carbonyl](methyl)amino]methyl}-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
- IUPAC
- 5-amino-N-[2-[[(2-chloro-6-fluorobenzoyl)-methylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
Names & synonyms
5-Amino-N-(2-{[[(2-chloro-6-fluorophenyl)carbonyl](methyl)amino]methyl}-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamideSCHEMBL3374238
Database identifiers
- PubChem CID
- 59487514
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 788
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Related reactions
2 records
Compound notes
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