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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,2-dimethylpropyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2,2-dimethylpropyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C17H20ClFN2O2 MolecularWeight: 338.804303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClFN2O2/c1-5-14-15(16(22)23)13(9-17(2,3)4)20-21(14)10-6-7-12(19)11(18)8-10/h6-8H,5,9H2,1-4H3,(H,22,23)