1-(4-cyanophenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3,5-dipropyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3,5-dipropylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c1-3-5-14-16(17(21)22)15(6-4-2)20(19-14)13-9-7-12(11-18)8-10-13/h7-10H,3-6H2,1-2H3,(H,21,22)