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

Systemtic Name: 3-(2,2-dimethylpropyl)-1-(2-fluorophenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(2,2-dimethylpropyl)-1-(2-fluorophenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-(2,2-dimethylpropyl)-1-(2-fluorophenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(2,2-dimethylpropyl)-1-(2-fluorophenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(2-fluorophenyl)-3-neopentyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C21H21FN2O2 MolecularWeight: 352.402043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C21H21FN2O2/c1-21(2,3)13-16-18(20(25)26)19(14-9-5-4-6-10-14)24(23-16)17-12-8-7-11-15(17)22/h4-12H,13H2,1-3H3,(H,25,26)