Chemical ID: 6687755

CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl
Chemical ID:
6687755
Name [?]:
4-chloro-5-ethyl-2-methyl-N-[(4-tert-butylphenyl)methyl]pyrazole-3-carboxamide
SMILES [?]:
CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H24ClN3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.0533
Area:567.675
Solvation:-2.13855
Coulombic:-29.593
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.855
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.48
LogP (Chemaxon):3.7

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