CID 5865217
PubChem CID
5865217
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
379.5 g/mol
Dates
- Create:2005-09-09
Chemical Structure Depiction
1-(2,3-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole
InChI=1S/C22H25N3O3/c1-13-7-6-8-17(14(13)2)25-22-16(9-10-23-22)20(24-25)15-11-18(26-3)21(28-5)19(12-15)27-4/h6-8,11-12,24H,9-10H2,1-5H3
LAVQHCLMDMFJSX-UHFFFAOYSA-N
CC1=C(C(=CC=C1)N2C3=NCCC3=C(N2)C4=CC(=C(C(=C4)OC)OC)OC)C
C22H25N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
379.5 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
379.18959167 g/mol
Property Name
Monoisotopic Mass
Property Value
379.18959167 g/mol
Property Name
Topological Polar Surface Area
Property Value
55.3 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
621
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