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

Systemtic Name: 1-(3-chlorophenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-isopropyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-isopropyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C21H29ClN2O2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H29ClN2O2/c1-13(2)19-18(20(25)26)17(10-14(3)12-21(4,5)6)23-24(19)16-9-7-8-15(22)11-16/h7-9,11,13-14H,10,12H2,1-6H3,(H,25,26)