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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-phenylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-isopropyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2-phenylpropyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-isopropyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Formula: C22H22ClFN2O2 MolecularWeight: 400.873683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H22ClFN2O2/c1-13(2)21-20(22(27)28)19(11-14(3)15-7-5-4-6-8-15)25-26(21)16-9-10-18(24)17(23)12-16/h4-10,12-14H,11H2,1-3H3,(H,27,28)