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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-methyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2/c1-13-17(18(23)24)16(12-19(2,3)4)21-22(13)15-10-8-14(9-11-15)20(5,6)7/h8-11H,12H2,1-7H3,(H,23,24)