BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

5-(trifluoromethyl)-1H-pyrazol-3-amine

5-(trifluoromethyl)-1H-pyrazol-3-amine bmse012018 - Data

5-(trifluoromethyl)-1H-pyrazol-3-amine synonyms

Wikipedia:

Graphical representations:

5-(trifluoromethyl)-1H-pyrazol-3-amine

View large 3D structure

Molecular Formula: C4H4F3N3

Natural Isotopic Abundance Mass: 151.0898696

Mono-Isotopic Molecular Masses:

  • C12N14: 151.035731803
  • C13N14: 155.049151155
  • C12N15: 154.02683648200002
  • C13N15: 158.04025583400002

InChI string: InChI=1S/C4H4F3N3/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H3,8,9,10)

EU-OPENSCREEN: EOS102735

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)