(2S,4R)-1-[2-(2-Chloro-pyridin-4-yl)-5-methyl-2H-pyrazol-3-yl]-4-(4-fluoro-2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic Acid Methyl Ester

HCID 86646830
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CN1c1cc(C)nn1-c1ccnc(Cl)c1
InChIKey
KXBVTIDUXFFMRA-WBVHZDCISA-N
Molecular formula
C22H19ClF4N4O4S
Average molar mass
546.9 g/mol
Monoisotopic mass
546.0751666

Names & identifiers

Preferred name
(2S,4R)-1-[2-(2-Chloro-pyridin-4-yl)-5-methyl-2H-pyrazol-3-yl]-4-(4-fluoro-2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic Acid Methyl Ester
IUPAC
methyl (2S,4R)-1-[2-(2-chloro-4-pyridinyl)-5-methylpyrazol-3-yl]-4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

Names & synonyms

(2S,4R)-1-[2-(2-Chloro-pyridin-4-yl)-5-methyl-2H-pyrazol-3-yl]-4-(4-fluoro-2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic Acid Methyl EsterSCHEMBL695446

Database identifiers

PubChem CID
86646830

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
103 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
6
Heavy atoms
36

Related reactions

2 records
New reaction record

Linked notes

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