CID 47212459
PubChem CID
47212459
Structure
Molecular Formula
Status
Non-live
Molecular Weight
258.28 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylbenzamide
InChI=1S/C13H14N4O2/c1-9-3-2-4-10(5-9)13(19)16-11-6-15-17(7-11)8-12(14)18/h2-7H,8H2,1H3,(H2,14,18)(H,16,19)
FXYLZXZHKDWNDK-UHFFFAOYSA-N
CC1=CC(=CC=C1)C(=O)NC2=CN(N=C2)CC(=O)N
C13H14N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
258.28 g/mol
Property Name
XLogP3-AA
Property Value
0.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
258.11167570 g/mol
Property Name
Monoisotopic Mass
Property Value
258.11167570 g/mol
Property Name
Topological Polar Surface Area
Property Value
90 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
348
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS