CID 24271099
PubChem CID
24271099
Structure
Molecular Formula
Status
Non-live
Molecular Weight
340.8 g/mol
Dates
- Create:2008-02-29
Chemical Structure Depiction
1-(4-chlorophenyl)-5-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid
InChI=1S/C19H17ClN2O2/c1-12(2)13-3-5-14(6-4-13)18-11-17(19(23)24)21-22(18)16-9-7-15(20)8-10-16/h3-12H,1-2H3,(H,23,24)
HLNNSWZBSFHVNK-UHFFFAOYSA-N
CC(C)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)Cl)C(=O)O
C19H17ClN2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
340.8 g/mol
Property Name
XLogP3-AA
Property Value
5.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
340.0978555 g/mol
Property Name
Monoisotopic Mass
Property Value
340.0978555 g/mol
Property Name
Topological Polar Surface Area
Property Value
55.1 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
429
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
Old substance
Old substance
Old substance
Old substance
CONTENTS