CID 51390460
PubChem CID
51390460
Structure
Molecular Formula
Status
Non-live
Molecular Weight
315.86 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
[(2S)-2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]propyl]-di(propan-2-yl)azanium
InChI=1S/C15H27ClN4O/c1-9(2)20(10(3)4)8-11(5)17-15(21)14-13(16)12(6)19(7)18-14/h9-11H,8H2,1-7H3,(H,17,21)/p+1/t11-/m0/s1
SIXZDSDUQCUBSR-NSHDSACASA-O
CC1=C(C(=NN1C)C(=O)N[C@@H](C)C[NH+](C(C)C)C(C)C)Cl
C15H28ClN4O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
315.86 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
315.1951642 g/mol
Property Name
Monoisotopic Mass
Property Value
315.1951642 g/mol
Property Name
Topological Polar Surface Area
Property Value
51.4 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
343
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