CID 42181308
PubChem CID
42181308
Structure
Molecular Formula
Status
Non-live
Molecular Weight
319.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
5-(2,5-dimethylphenyl)-1-(3,5-dimethylphenyl)pyrazole-3-carboxylate
InChI=1S/C20H20N2O2/c1-12-5-6-15(4)17(10-12)19-11-18(20(23)24)21-22(19)16-8-13(2)7-14(3)9-16/h5-11H,1-4H3,(H,23,24)/p-1
QPKDRXASNZBCSN-UHFFFAOYSA-M
CC1=CC(=C(C=C1)C)C2=CC(=NN2C3=CC(=CC(=C3)C)C)C(=O)[O-]
C20H19N2O2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
319.4 g/mol
Property Name
XLogP3-AA
Property Value
5.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
319.144652853 g/mol
Property Name
Monoisotopic Mass
Property Value
319.144652853 g/mol
Property Name
Topological Polar Surface Area
Property Value
58 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
439
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