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

Systemtic Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-(2,2-dimethylpropyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-ethyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c1-5-15-16(17(22)23)14(10-18(2,3)4)20-21(15)13-8-6-12(11-19)7-9-13/h6-9H,5,10H2,1-4H3,(H,22,23)