CID 52505360
PubChem CID
52505360
Structure
Molecular Formula
Status
Non-live
Molecular Weight
379.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
3-[[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methylamino]propyl-dimethylazanium
InChI=1S/C23H30N4O/c1-26(2)15-9-14-24-16-20-18-27(17-19-10-5-4-6-11-19)25-23(20)21-12-7-8-13-22(21)28-3/h4-8,10-13,18,24H,9,14-17H2,1-3H3/p+1
VEKGRPMTXVBBDF-UHFFFAOYSA-O
C[NH+](C)CCCNCC1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3
C23H31N4O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
379.5 g/mol
Property Name
XLogP3-AA
Property Value
3.2
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
10
Property Name
Exact Mass
Property Value
379.24978663 g/mol
Property Name
Monoisotopic Mass
Property Value
379.24978663 g/mol
Property Name
Topological Polar Surface Area
Property Value
43.5 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
427
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
Old substance
CONTENTS