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

Systemtic Name: 1-(4-cyanophenyl)-3-ethyl-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-ethyl-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-ethyl-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-3-ethyl-5-isopropyl-pyrazole-4-carboxylic acid Formula: C16H17N3O2 MolecularWeight: 283.32508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3O2/c1-4-13-14(16(20)21)15(10(2)3)19(18-13)12-7-5-11(9-17)6-8-12/h5-8,10H,4H2,1-3H3,(H,20,21)