Molecular Identity
celecoxib
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID: 2662
Celecoxib is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis. It has a role as a geroprotector, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a cyclooxygenase 2 inhibitor. It is a member of pyrazoles, a member of toluenes, a sulfonamide and an organofluorine compound.
2D Structure
Properties
C17H14F3N3O2S
Molecular Formula
381.40
Molecular Weight
g/mol
381.0759
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
86.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
577
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
celecoxib169590-42-5CelebrexCelebraOnsenal184007-95-24-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDESC-586354-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamideYM 177p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamideCelecoxibumSC58635DFN15
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to celecoxib
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