BMRB

Biological Magnetic Resonance Data Bank


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

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea bmse011774 - Data

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea synonyms

Wikipedia:

Graphical representations:

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea

View large 3D structure

Molecular Formula: C13H16N4O

Natural Isotopic Abundance Mass: 244.29233999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 244.132411152
  • C13N14: 257.17602404600007
  • C12N15: 248.12055072400003
  • C13N15: 261.1641636180001

InChI string: InChI=1S/C13H16N4O/c1-16(9-11-8-14-17(2)10-11)13(18)15-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,15,18)

EU-OPENSCREEN: EOS102471

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)