9UM

3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

Created:2017-06-10
Last modified:  2024-09-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count0
2D diagram of 9UM

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
Systematic Name (OpenEye OEToolkits)7-(bromomethyl)-1,2,6-trimethyl-pyrazolo[1,2-a]pyrazole-3,5-dione
FormulaC10 H11 Br N2 O2
Molecular Weight271.111
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(=O)C(C)=C(C)N2C(=C(C(=O)N12)C)CBr
SMILESCACTVS3.385CC1=C(C)C(=O)N2N1C(=C(C)C2=O)CBr
SMILESOpenEye OEToolkits2.0.6CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C
Canonical SMILESCACTVS3.385 CC1=C(C)C(=O)N2N1C(=C(C)C2=O)CBr
Canonical SMILESOpenEye OEToolkits2.0.6 CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C
InChIInChI1.03 InChI=1S/C10H11BrN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3
InChIKeyInChI1.03 AHEWZZJEDQVLOP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 114810
ChEMBL CHEMBL1649730
ChEBI CHEBI:62825