(2R,4R)-1-(2-cyclohexyl-5-methyl-2H-pyrazol-3-yl)-4-(2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid
Basic information
- Standard SMILES
Cc1cc(N2C[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@@H]2C(=O)O)n(C2CCCCC2)n1- InChIKey
GCCCKOBXXMITIR-SJLPKXTDSA-N- Molecular formula
- C22H26F3N3O4S
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- (2R,4R)-1-(2-cyclohexyl-5-methyl-2H-pyrazol-3-yl)-4-(2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid
- IUPAC
- (2R,4R)-1-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
Names & synonyms
(2R,4R)-1-(2-cyclohexyl-5-methyl-2H-pyrazol-3-yl)-4-(2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acidSCHEMBL695499
Database identifiers
- PubChem CID
- 66770643
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 813
Related reactions
1 records
Compound notes
Loading…