Basic information
- Standard SMILES
CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(C)(=O)=O)c1- InChIKey
CYPBTHPQJZHJCN-UHFFFAOYSA-N- Molecular formula
- C21H23ClN4O3S
- Average molar mass
- 447 g/mol
Names & identifiers
- Preferred name
- 1-(4-chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid [1-(5-methanesulfonyl-pyridin-3-yl)-butyl]-amide
- IUPAC
- 1-(4-chlorophenyl)-5-methyl-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazole-4-carboxamide
Names & synonyms
CHEMBL4568048SCHEMBL1419706CYPBTHPQJZHJCN-UHFFFAOYSA-NBDBM505181861-(4-chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid [1-(5-methanesulfonyl-pyridin-3-yl)-butyl]-amide
Database identifiers
- PubChem CID
- 44480600
- ChEMBL
CHEMBL4568048
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 678
Related reactions
2 records
Compound notes
Loading…