1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-isopropyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H23N3O2/c1-12(2)17-16(18(23)24)15(10-19(3,4)5)21-22(17)14-8-6-13(11-20)7-9-14/h6-9,12H,10H2,1-5H3,(H,23,24)