Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1cc(C)nn1C- InChIKey
MTQVOYLVMFEFTI-OCCSQVGLSA-N- Molecular formula
- C18H20F3N3O4S
- Average molar mass
- 431.4 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-1-(2,5-Dimethyl-2H-pyrazol-3-yl)-4-(2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic Acid Methyl Ester
- IUPAC
- methyl (2S,4R)-1-(2,5-dimethylpyrazol-3-yl)-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
Names & synonyms
(2S,4R)-1-(2,5-Dimethyl-2H-pyrazol-3-yl)-4-(2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic Acid Methyl EsterSCHEMBL695967
Database identifiers
- PubChem CID
- 66770795
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 712
Related reactions
2 records
Compound notes
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