4-[4-(methylamino)butyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[4-(methylamino)butyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[4-(methylamino)butyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[4-(methylamino)butyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[4-(methylamino)butyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-(methylamino)butyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C9H14F3N3O MolecularWeight: 237.22217

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC1=C(NNC1=O)C(F)(F)F

Isomeric SMILES

CNCCCCC1=C(NNC1=O)C(F)(F)F

InChI

InChI=1S/C9H14F3N3O/c1-13-5-3-2-4-6-7(9(10,11)12)14-15-8(6)16/h13H,2-5H2,1H3,(H2,14,15,16)