3-Methyl-2-pyrazolin-5-one

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 7920
Molecular Formula

C4H6N2O

SMILES

CC1=NNC(=O)C1

InChI

InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7)

synonyms
  • 3-Methyl-2-pyrazolin-5-one
  • 3-Methyl-5-pyrazolone
  • 3-Methyl-1H-pyrazol-5(4H)-one
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Properties
Property Value
MW 98.10 g/mol
HBD 1
HBA 2
Rotatable Bond Count 0
Exact Mass 98.048012819 g/mol
Monoisotopic Mass 98.048012819 g/mol
Heavy Atom Count 7
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 128
xlogp -0.5
Topological Polar Surface Area 41.5