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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C19H24ClFN2O2 MolecularWeight: 366.857463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClFN2O2/c1-11(10-19(3,4)5)8-16-17(18(24)25)12(2)23(22-16)13-6-7-15(21)14(20)9-13/h6-7,9,11H,8,10H2,1-5H3,(H,24,25)