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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-isobutyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-isobutyl-pyrazole-4-carboxylic acid Formula: C16H18ClFN2O2 MolecularWeight: 324.777723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClFN2O2/c1-4-14-15(16(21)22)13(7-9(2)3)19-20(14)10-5-6-12(18)11(17)8-10/h5-6,8-9H,4,7H2,1-3H3,(H,21,22)