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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CC(C)(C)C)C(=O)O

InChI

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