CID 42193610
PubChem CID
42193610
Structure
Molecular Formula
Status
Non-live
Molecular Weight
386.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]azanium
InChI=1S/C24H27N5/c1-17-8-10-23(11-9-17)29-16-22(13-25-19(3)21-14-26-28(4)15-21)24(27-29)20-7-5-6-18(2)12-20/h5-12,14-16,19,25H,13H2,1-4H3/p+1/t19-/m1/s1
YRXWMSOASXJRRO-LJQANCHMSA-O
CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC(=C3)C)C[NH2+][C@H](C)C4=CN(N=C4)C
C24H28N5+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
386.5 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
386.23447091 g/mol
Property Name
Monoisotopic Mass
Property Value
386.23447091 g/mol
Property Name
Topological Polar Surface Area
Property Value
52.3 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
505
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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