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

Systemtic Name: 1-(4-cyanophenyl)-3-(2-methylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-isobutyl-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-(2-methylpropyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-(2-methylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-3-isobutyl-5-isopropyl-pyrazole-4-carboxylic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H21N3O2/c1-11(2)9-15-16(18(22)23)17(12(3)4)21(20-15)14-7-5-13(10-19)6-8-14/h5-8,11-12H,9H2,1-4H3,(H,22,23)