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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2,2-dimethylpropyl)-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-isopropyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C18H22ClFN2O2 MolecularWeight: 352.830883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClFN2O2/c1-10(2)16-15(17(23)24)14(9-18(3,4)5)21-22(16)11-6-7-13(20)12(19)8-11/h6-8,10H,9H2,1-5H3,(H,23,24)