1-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-(2-phenylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Formula: C21H20ClFN2O2 MolecularWeight: 386.847103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O2/c1-3-19-20(21(26)27)18(11-13(2)14-7-5-4-6-8-14)24-25(19)15-9-10-17(23)16(22)12-15/h4-10,12-13H,3,11H2,1-2H3,(H,26,27)