CID 47391202
PubChem CID
47391202
Structure
Molecular Formula
Status
Non-live
Molecular Weight
297.38 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-(1,1-dioxothiolan-3-yl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-carboxamide
InChI=1S/C13H19N3O3S/c1-4-6-16(11-5-7-20(18,19)9-11)13(17)12-8-14-15(3)10(12)2/h4,8,11H,1,5-7,9H2,2-3H3
AHYCSPRWSRQQHV-UHFFFAOYSA-N
CC1=C(C=NN1C)C(=O)N(CC=C)C2CCS(=O)(=O)C2
C13H19N3O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
297.38 g/mol
Property Name
XLogP3-AA
Property Value
0.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
297.11471265 g/mol
Property Name
Monoisotopic Mass
Property Value
297.11471265 g/mol
Property Name
Topological Polar Surface Area
Property Value
80.7 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
486
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
1
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