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

Systemtic Name: 1-(3-chlorophenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C20H27ClN2O2 MolecularWeight: 362.89358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C20H27ClN2O2/c1-6-17-18(19(24)25)16(10-13(2)12-20(3,4)5)22-23(17)15-9-7-8-14(21)11-15/h7-9,11,13H,6,10,12H2,1-5H3,(H,24,25)