3-(4-cyanophenyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxylic acid Formula: C18H12FN3O2 MolecularWeight: 321.305183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C18H12FN3O2/c1-11-16(18(23)24)17(13-4-2-12(10-20)3-5-13)21-22(11)15-8-6-14(19)7-9-15/h2-9H,1H3,(H,23,24)