Chemical ID: 5728902

Cc1c(c(n(n1)Cc2ccccc2)C)C(=O)OCC#N
Chemical ID:
5728902
Name [?]:
cyanomethyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate
SMILES [?]:
Cc1c(c(n(n1)Cc2ccccc2)C)C(=O)OCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H15N3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.90431
Area:488.703
Solvation:-3.31327
Coulombic:-27.0591
Bond Count [?]
All:21
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.299
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.03
LogP (Chemaxon):1.71

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