5-tert-butyl-2-(4-fluorophenyl)-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-(4-fluorophenyl)-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(4-fluorophenyl)-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(4-fluorophenyl)-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(4-fluorophenyl)-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(4-fluorophenyl)-2-pyrazolin-3-one Formula: C13H15FN2O MolecularWeight: 234.269403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H15FN2O/c1-13(2,3)11-8-12(17)16(15-11)10-6-4-9(14)5-7-10/h4-7H,8H2,1-3H3