Basic information
- Standard SMILES
CC(NC(=O)c1cc(Cl)ccc1NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1- InChIKey
NFWBKNFAPLWFAL-UHFFFAOYSA-N- Molecular formula
- C21H18BrCl2N5O2
- Average molar mass
- 523.2 g/mol
- Monoisotopic mass
- 521.00209
Names & identifiers
- Preferred name
- 3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide
- IUPAC
- 3-bromo-N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
Names & synonyms
SCHEMBL589798SCHEMBL31438692NFWBKNFAPLWFAL-UHFFFAOYSA-N3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide
Database identifiers
- PubChem CID
- 66736193
- Nikkaji
- J2.918.665K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 670
Related reactions
14 records
Linked notes
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