Chemical ID: 7205933

Cc1c(c(n(n1)CC(=O)N)C)Br
Chemical ID:
7205933
Name [?]:
2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetamide
SMILES [?]:
Cc1c(c(n(n1)CC(=O)N)C)Br
InChi [?]:
InChI=1/C7H10BrN3O/c1-4-7(8)5(2)11(10-4)3-6(9)12/h3H2,1-2H3,(H2,9,12)
InChi Info:
AuxInfo=1/1/N:1,11,7,2,4,8,3,12,10,6,5,9/rA:12nCCCCNNCCONCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s8;s4;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10BrN3O
All Atoms:22
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.67532
Area:345.361
Solvation:-2.9587
Coulombic:-27.8855
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:232.078
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.35
LogP (Chemaxon):-0.03

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Descriptor Annotations

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