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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=CC=C2F)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=CC=C2F)CC(C)(C)C)C(=O)O

InChI

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