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

Systemtic Name: 3-(2,2-dimethylpropyl)-1-(2-fluorophenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(2,2-dimethylpropyl)-1-(2-fluorophenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(2,2-dimethylpropyl)-1-(2-fluorophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(2,2-dimethylpropyl)-1-(2-fluorophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(2-fluorophenyl)-3-neopentyl-5-propyl-pyrazole-4-carboxylic acid Formula: C18H23FN2O2 MolecularWeight: 318.385823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2F)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2F)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C18H23FN2O2/c1-5-8-15-16(17(22)23)13(11-18(2,3)4)20-21(15)14-10-7-6-9-12(14)19/h6-7,9-10H,5,8,11H2,1-4H3,(H,22,23)