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

Systemtic Name: 1-(4-cyanophenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-isopropyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-isopropyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C22H29N3O2/c1-14(2)20-19(21(26)27)18(11-15(3)12-22(4,5)6)24-25(20)17-9-7-16(13-23)8-10-17/h7-10,14-15H,11-12H2,1-6H3,(H,26,27)