1-(4-cyanophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-13(11-20(3,4)5)10-17-18(19(24)25)14(2)23(22-17)16-8-6-15(12-21)7-9-16/h6-9,13H,10-11H2,1-5H3,(H,24,25)