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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H23N3O2/c1-5-6-16-17(18(23)24)15(11-19(2,3)4)21-22(16)14-9-7-13(12-20)8-10-14/h7-10H,5-6,11H2,1-4H3,(H,23,24)