Basic information
- Standard SMILES
Nc1c(C(=O)NCC(O)(CNC(=O)c2c(F)cccc2F)C(F)(F)F)cnn1-c1ccc(F)cc1- InChIKey
PJQIOELKQZILCS-UHFFFAOYSA-N- Molecular formula
- C21H17F6N5O3
- Average molar mass
- 501.4 g/mol
Names & identifiers
- Preferred name
- 5-Amino-N-[2-({[(2,6-difluorophenyl)carbonyl]amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
- IUPAC
- 5-amino-N-[2-[[(2,6-difluorobenzoyl)amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
Names & synonyms
CHEMBL465920SCHEMBL3375734BDBM504126155-Amino-N-[2-({[(2,6-difluorophenyl)carbonyl]amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide5-amino-N-[2-[[(2,6-difluorobenzoyl)amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 44570223
- ChEMBL
CHEMBL465920
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 743
Related reactions
2 records
Compound notes
Loading…