CID 48940494
PubChem CID
48940494
Structure
Molecular Formula
Status
Non-live
Molecular Weight
365.5 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(4-cyanopiperidin-1-yl)acetamide
InChI=1S/C21H27N5O/c1-21(2,3)18-13-19(26(24-18)17-7-5-4-6-8-17)23-20(27)15-25-11-9-16(14-22)10-12-25/h4-8,13,16H,9-12,15H2,1-3H3,(H,23,27)
QXISEJXQEROPSZ-UHFFFAOYSA-N
CC(C)(C)C1=NN(C(=C1)NC(=O)CN2CCC(CC2)C#N)C3=CC=CC=C3
C21H27N5O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
365.5 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
365.22156050 g/mol
Property Name
Monoisotopic Mass
Property Value
365.22156050 g/mol
Property Name
Topological Polar Surface Area
Property Value
74 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
549
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