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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC(=C(C=C3)F)Cl

InChI

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