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Chemical ID: 7205933
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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