8S1

5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile

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

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count11
2D diagram of 8S1

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

Name5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
Systematic Name (OpenEye OEToolkits)5-azanyl-1-(2-chlorophenyl)pyrazole-4-carbonitrile
FormulaC10 H7 Cl N4
Molecular Weight218.642
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1cc(c(N)n1c2ccccc2Cl)C#N
SMILESCACTVS3.385Nc1n(ncc1C#N)c2ccccc2Cl
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)n2c(c(cn2)C#N)N)Cl
Canonical SMILESCACTVS3.385 Nc1n(ncc1C#N)c2ccccc2Cl
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(c(c1)n2c(c(cn2)C#N)N)Cl
InChIInChI1.03 InChI=1S/C10H7ClN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKeyInChI1.03 FAKNEJZRRRHJEU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 12366038
CCDC/CSD AFIJOP