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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,2-dimethylpropyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2,2-dimethylpropyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2-dimethylpropyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-neopentyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C21H20ClFN2O2 MolecularWeight: 386.847103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H20ClFN2O2/c1-21(2,3)12-17-18(20(26)27)19(13-7-5-4-6-8-13)25(24-17)14-9-10-16(23)15(22)11-14/h4-11H,12H2,1-3H3,(H,26,27)