1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-methylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-methylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-isobutyl-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-isobutyl-5-isopropyl-pyrazole-4-carboxylic acid Formula: C17H20ClFN2O2 MolecularWeight: 338.804303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1C(=O)O)C(C)C)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)CC1=NN(C(=C1C(=O)O)C(C)C)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H20ClFN2O2/c1-9(2)7-14-15(17(22)23)16(10(3)4)21(20-14)11-5-6-13(19)12(18)8-11/h5-6,8-10H,7H2,1-4H3,(H,22,23)