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

Systemtic Name: 1-(3-chlorophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C19H25ClN2O2 MolecularWeight: 348.867

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H25ClN2O2/c1-12(11-19(3,4)5)9-16-17(18(23)24)13(2)22(21-16)15-8-6-7-14(20)10-15/h6-8,10,12H,9,11H2,1-5H3,(H,23,24)