8SM

2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine

Created:2017-03-03
Last modified:  2017-03-15

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count31
Aromatic Bond Count16
2D diagram of 8SM

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

Name2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine
Systematic Name (OpenEye OEToolkits)2-(1-methyl-3-pyrrol-1-yl-pyrazol-4-yl)pyridine
FormulaC13 H12 N4
Molecular Weight224.261
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2(cc(c1ccccn1)c(n2)n3cccc3)C
SMILESCACTVS3.385Cn1cc(c2ccccn2)c(n1)n3cccc3
SMILESOpenEye OEToolkits2.0.6Cn1cc(c(n1)n2cccc2)c3ccccn3
Canonical SMILESCACTVS3.385 Cn1cc(c2ccccn2)c(n1)n3cccc3
Canonical SMILESOpenEye OEToolkits2.0.6 Cn1cc(c(n1)n2cccc2)c3ccccn3
InChIInChI1.03 InChI=1S/C13H12N4/c1-16-10-11(12-6-2-3-7-14-12)13(15-16)17-8-4-5-9-17/h2-10H,1H3
InChIKeyInChI1.03 XCHUIBSCRPPPPA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 124220762