CID 47341073
PubChem CID
47341073
Structure
Molecular Formula
Status
Non-live
Molecular Weight
274.28 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
2-hydroxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
InChI=1S/C13H14N4O3/c1-14-12(19)8-17-7-9(6-15-17)16-13(20)10-4-2-3-5-11(10)18/h2-7,18H,8H2,1H3,(H,14,19)(H,16,20)
SLSSGQZFUBSUTM-UHFFFAOYSA-N
CNC(=O)CN1C=C(C=N1)NC(=O)C2=CC=CC=C2O
C13H14N4O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
274.28 g/mol
Property Name
XLogP3-AA
Property Value
0.7
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
274.10659032 g/mol
Property Name
Monoisotopic Mass
Property Value
274.10659032 g/mol
Property Name
Topological Polar Surface Area
Property Value
96.3 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
364
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