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(2S,4R)-1-(2-Isopropyl-5-methyl-2H-pyrazol-3-yl)-4-[4-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-benzenesulfonyl]-pyrrolidine-2-carboxylic Acid

HCID 86646841
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(N2C[C@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3C(F)(F)F)C[C@H]2C(=O)O)n(C(C)C)n1
InChIKey
YDSHRRMAAGCTLD-ZBFHGGJFSA-N
Molecular formula
C21H23F6N3O5S
Average molar mass
543.5 g/mol

Names & identifiers

Preferred name
(2S,4R)-1-(2-Isopropyl-5-methyl-2H-pyrazol-3-yl)-4-[4-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-benzenesulfonyl]-pyrrolidine-2-carboxylic Acid
IUPAC
(2S,4R)-1-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid

Names & synonyms

(2S,4R)-1-(2-Isopropyl-5-methyl-2H-pyrazol-3-yl)-4-[4-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-benzenesulfonyl]-pyrrolidine-2-carboxylic AcidSCHEMBL695977YDSHRRMAAGCTLD-ZBFHGGJFSA-MYDSHRRMAAGCTLD-ZBFHGGJFSA-N

Database identifiers

PubChem CID
86646841

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
7
Heavy atoms
36
Formal charge
0
Complexity
894

Related reactions

1 records
New reaction record
HRID 1697598 reaction equation
HRID 1697598As productuspto-grants-2012_04

Compound notes

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