2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride

2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride bmse011103 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C7H10ClF3N4O

Natural Isotopic Abundance Mass: 258.6287095999999

Mono-Isotopic Molecular Masses:

  • C12N14: 258.04952330000003
  • C13N14: 265.073007166
  • C12N15: 262.03766287200006
  • C13N15: 269.06114673800005

InChI string: InChI=1S/C7H9F3N4O.ClH/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10;/h2-3H,11H2,1H3,(H2,12,13,14,15);1H/t3-;/m0./s1

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)