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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20ClFN2O2/c1-13(2)20-19(21(26)27)18(11-8-14-6-4-3-5-7-14)24-25(20)15-9-10-17(23)16(22)12-15/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,26,27)