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Chemical ID: 6831102
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
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Experimental Annotations
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Descriptor Annotations
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