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

Systemtic Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-methyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C16H19ClN2O2 MolecularWeight: 306.78726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O2/c1-10-14(15(20)21)13(9-16(2,3)4)18-19(10)12-7-5-6-11(17)8-12/h5-8H,9H2,1-4H3,(H,20,21)