Chemical ID: 7153795

Cc1c(c(n(n1)C)C)C(=O)N2CCOCC2
Chemical ID:
7153795
Name [?]:
morpholino-(1,3,5-trimethylpyrazol-4-yl)-methanone
SMILES [?]:
Cc1c(c(n(n1)C)C)C(=O)N2CCOCC2
InChi [?]:
InChI=1/C11H17N3O2/c1-8-10(9(2)13(3)12-8)11(15)14-4-6-16-7-5-14/h4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,7,12,16,13,15,2,4,3,9,6,5,11,10,14/E:(4,5)(6,7)/rA:16nCCCCNNCCCONCCOCC/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;d9;s9;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17N3O2
All Atoms:33
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.16741
Area:394.132
Solvation:-3.68588
Coulombic:-27.6031
Bond Count [?]
All:17
Single:14
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:223.272
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.04
LogP (Chemaxon):-0.69

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