Chemical ID: 6831102

Cc1cc(n(n1)CC(=O)NCCO)C
Chemical ID:
6831102
Name [?]:
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
SMILES [?]:
Cc1cc(n(n1)CC(=O)NCCO)C
InChi [?]:
InChI=1/C9H15N3O2/c1-7-5-8(2)12(11-7)6-9(14)10-3-4-13/h5,13H,3-4,6H2,1-2H3,(H,10,14)
InChi Info:
AuxInfo=1/1/N:1,14,11,12,3,7,2,4,8,10,6,5,13,9/rA:14nCCCCNNCCONCCOC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s8;s10;s11;s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15N3O2
All Atoms:29
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.25518
Area:389.884
Solvation:-4.49193
Coulombic:-39.1966
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:197.234
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.56
LogP (Chemaxon):-1.01

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