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A1JOT

Summary
Name:3-[5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoic acid
Formula:C19 H15 F3 N2 O2
Formal charge:0
Formula weight:360.33 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H15F3N2O2/c20-19(21,22)14-7-4-8-16(11-14)24-17(13-5-2-1-3-6-13)12-15(23-24)9-10-18(25)26/h1-8,11-12H,9-10H2,(H,25,26)
InChIKeyInChI1.06HDOULFPBAFNSDF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCc1cc(n(n1)c2cccc(c2)C(F)(F)F)c3ccccc3
SMILESCACTVS3.385OC(=O)CCc1cc(n(n1)c2cccc(c2)C(F)(F)F)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2cc(nn2c3cccc(c3)C(F)(F)F)CCC(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2cc(nn2c3cccc(c3)C(F)(F)F)CCC(=O)O

251801

PDB entries from 2026-04-08

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