CID 26331493
PubChem CID
26331493
Structure
Molecular Formula
Status
Non-live
Molecular Weight
434.5 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-ylazanium
InChI=1S/C25H28FN5O/c1-18(2)30(15-19-13-27-29(3)14-19)16-20-17-31(21-8-6-5-7-9-21)28-25(20)23-11-10-22(32-4)12-24(23)26/h5-14,17-18H,15-16H2,1-4H3/p+1
UHZFAGBFBYYOKO-UHFFFAOYSA-O
CC(C)[NH+](CC1=CN(N=C1)C)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4
C25H29FN5O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
434.5 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
4
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
434.23561373 g/mol
Property Name
Monoisotopic Mass
Property Value
434.23561373 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.3 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
575
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
CONTENTS