1-[2,5-bis(chloranyl)phenyl]-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2,5-dichlorophenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(2,5-dichlorophenyl)-5-ethyl-3-(2-phenylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,5-dichlorophenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2,5-dichlorophenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Formula: C21H20Cl2N2O2 MolecularWeight: 403.3017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=C(C=CC(=C2)Cl)Cl)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=C(C=CC(=C2)Cl)Cl)CC(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20Cl2N2O2/c1-3-18-20(21(26)27)17(11-13(2)14-7-5-4-6-8-14)24-25(18)19-12-15(22)9-10-16(19)23/h4-10,12-13H,3,11H2,1-2H3,(H,26,27)