CID 33783328
PubChem CID
33783328
Structure
Molecular Formula
Status
Non-live
Molecular Weight
262.35 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[3-amino-4-(4-methoxyphenyl)-2-methyl-1H-pyrazol-2-ium-5-yl]methyl-dimethylazanium
InChI=1S/C14H20N4O/c1-17(2)9-12-13(14(15)18(3)16-12)10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H2,15,16)/p+2
ACMSPCBSFUEFHI-UHFFFAOYSA-P
C[N+]1=C(C(=C(N1)C[NH+](C)C)C2=CC=C(C=C2)OC)N
C14H22N4O+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
262.35 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
262.17936134 g/mol
Property Name
Monoisotopic Mass
Property Value
262.17936134 g/mol
Property Name
Topological Polar Surface Area
Property Value
59.4 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
279
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