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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,2-dimethylpropyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2,2-dimethylpropyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C16H18ClFN2O2 MolecularWeight: 324.777723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)(C)C)C(=O)O

InChI

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