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4,5-DIHYDRO-5-HYDROXY-3-(4-METHYLPHENYL)-1-(4-NITROPHENYL)-5-TRIFLUOROMETHYLPYRAZOLE
SpectraBase Compound ID G2Tfhiqn8lk
InChI InChI=1S/C17H14F3N3O3/c1-11-2-4-12(5-3-11)15-10-16(24,17(18,19)20)22(21-15)13-6-8-14(9-7-13)23(25)26/h2-9,24H,10H2,1H3/t16-/m1/s1
InChIKey DYYYTWJLQCDDAC-MRXNPFEDSA-N
Mol Weight 365.31 g/mol
Molecular Formula C17H14F3N3O3
Exact Mass 365.098726 g/mol
Enantiomer InChIKey DYYYTWJLQCDDAC-INIZCTEOSA-N
Racemate InChIKey DYYYTWJLQCDDAC-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Design and Synthesis of Celecoxib and Rofecoxib Analogues as Selective Cyclooxygenase-2 (COX-2) Inhibitors:  Replacement of Sulfonamide and Methylsulfonyl Pharmacophores by an Azido Bioisostere Journal of Medicinal Chemistry 2001

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