5-tert-butyl-2-(3-fluorophenyl)-1H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-(3-fluorophenyl)-1H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(3-fluorophenyl)-1H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(3-fluorophenyl)-1H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(3-fluorophenyl)-1H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(3-fluorophenyl)-3-pyrazolin-3-one Formula: C13H15FN2O MolecularWeight: 234.269403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(N1)C2=CC(=CC=C2)F

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(N1)C2=CC(=CC=C2)F

InChI

InChI=1S/C13H15FN2O/c1-13(2,3)11-8-12(17)16(15-11)10-6-4-5-9(14)7-10/h4-8,15H,1-3H3