CID 5865136
PubChem CID
5865136
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
354.2 g/mol
Dates
- Create:2005-09-09
Chemical Structure Depiction
3-(4-bromophenyl)-1-(2-methylphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole
InChI=1S/C18H16BrN3/c1-12-4-2-3-5-16(12)22-18-15(10-11-20-18)17(21-22)13-6-8-14(19)9-7-13/h2-9,21H,10-11H2,1H3
FUHLRJOHXHHYFM-UHFFFAOYSA-N
CC1=CC=CC=C1N2C3=NCCC3=C(N2)C4=CC=C(C=C4)Br
C18H16BrN3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
354.2 g/mol
Property Name
XLogP3-AA
Property Value
4.1
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
2
Property Name
Exact Mass
Property Value
353.05276 g/mol
Property Name
Monoisotopic Mass
Property Value
353.05276 g/mol
Property Name
Topological Polar Surface Area
Property Value
27.6 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
491
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