1-(4-cyanophenyl)-5-ethyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-5-ethyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-ethyl-3-isobutyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-ethyl-3-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-ethyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-ethyl-3-isobutyl-pyrazole-4-carboxylic acid Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)C)C(=O)O

InChI

InChI=1S/C17H19N3O2/c1-4-15-16(17(21)22)14(9-11(2)3)19-20(15)13-7-5-12(10-18)6-8-13/h5-8,11H,4,9H2,1-3H3,(H,21,22)