1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-methylpropyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-methylpropyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-isobutyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-isobutyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C20H18ClFN2O2 MolecularWeight: 372.820523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H18ClFN2O2/c1-12(2)10-17-18(20(25)26)19(13-6-4-3-5-7-13)24(23-17)14-8-9-16(22)15(21)11-14/h3-9,11-12H,10H2,1-2H3,(H,25,26)