CID 42181563
PubChem CID
42181563
Structure
Molecular Formula
Status
Non-live
Molecular Weight
323.3 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
5-(2,5-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate
InChI=1S/C18H16N2O4/c1-23-13-8-9-17(24-2)14(10-13)16-11-15(18(21)22)19-20(16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22)/p-1
UXFZDOLSNWKLNU-UHFFFAOYSA-M
COC1=CC(=C(C=C1)OC)C2=CC(=NN2C3=CC=CC=C3)C(=O)[O-]
C18H15N2O4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
323.3 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
323.10318196 g/mol
Property Name
Monoisotopic Mass
Property Value
323.10318196 g/mol
Property Name
Topological Polar Surface Area
Property Value
76.4 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
422
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