2-(1-ethylpyrazol-4-yl)ethanol

2-(1-ethylpyrazol-4-yl)ethanol bmse011552 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H12N2O

Natural Isotopic Abundance Mass: 140.18297999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 140.094963014
  • C13N14: 147.11844688000002
  • C12N15: 142.0890328
  • C13N15: 149.11251666600003

InChI string: InChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3

wwPDB CCD: UVY

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)