N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine

N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine bmse011116 - Data bmse011832 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C10H10FN3

Natural Isotopic Abundance Mass: 191.2049031999999

Mono-Isotopic Molecular Masses:

  • C12N14: 191.085875555
  • C13N14: 201.11942393500004
  • C12N15: 194.07698023400002
  • C13N15: 204.11052861400006

InChI string: InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14)

wwPDB CCD: UQS

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)