Chemical ID: 5982398

COc1ccc(cc1)c2cc(n(n2)c3cccc(c3)Cl)C(=O)NCc4ccccn4
Chemical ID:
5982398
Name [?]:
2-(3-chlorophenyl)-5-(4-methoxyphenyl)-N-(2-pyridylmethyl)pyrazole-3-carboxamide
SMILES [?]:
COc1ccc(cc1)c2cc(n(n2)c3cccc(c3)Cl)C(=O)NCc4ccccn4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H19ClN4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.8021
Area:657.329
Solvation:-4.63112
Coulombic:-40.9036
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:418.875
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.52
LogP (Chemaxon):3.63

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue