5-(butylamino)-2-[2,2,2-tris(fluoranyl)ethyl]-4H-pyrazol-3-one

Systemtic Name: 5-(butylamino)-2-[2,2,2-tris(fluoranyl)ethyl]-4H-pyrazol-3-one Openeye Name: 5-(butylamino)-2-(2,2,2-trifluoroethyl)-4H-pyrazol-3-one CAS Name: 5-(butylamino)-2-(2,2,2-trifluoroethyl)-4H-pyrazol-3-one IUPAC Name: 5-(butylamino)-2-(2,2,2-trifluoroethyl)-4H-pyrazol-3-one Traditional Name: 5-(butylamino)-2-(2,2,2-trifluoroethyl)-2-pyrazolin-3-one Formula: C9H14F3N3O MolecularWeight: 237.22217

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN(C(=O)C1)CC(F)(F)F

Isomeric SMILES

CCCCNC1=NN(C(=O)C1)CC(F)(F)F

InChI

InChI=1S/C9H14F3N3O/c1-2-3-4-13-7-5-8(16)15(14-7)6-9(10,11)12/h2-6H2,1H3,(H,13,14)