1-(4-tert-butylphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-(4-fluorophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Formula: C20H19FN2O2 MolecularWeight: 338.375463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O2/c1-20(2,3)14-6-10-16(11-7-14)23-18(12-17(22-23)19(24)25)13-4-8-15(21)9-5-13/h4-12H,1-3H3,(H,24,25)