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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C18H22ClFN2O2/c1-5-6-15-16(17(23)24)14(10-18(2,3)4)21-22(15)11-7-8-13(20)12(19)9-11/h7-9H,5-6,10H2,1-4H3,(H,23,24)