2-ethyl-5-(trifluoromethyl)-4H-pyrazol-3-one

2-ethyl-5-(trifluoromethyl)-4H-pyrazol-3-one bmse011038 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C6H7F3N2O

Natural Isotopic Abundance Mass: 180.12778959999991

Mono-Isotopic Molecular Masses:

  • C12N14: 180.051047514
  • C13N14: 186.07117654200002
  • C12N15: 182.04511730000002
  • C13N15: 188.06524632800003

InChI string: InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)