11K

N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide

Created:2011-07-05
Last modified:  2013-05-08

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count55
Aromatic Bond Count11
2D diagram of 11K

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

NameN-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
Systematic Name (OpenEye OEToolkits)N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamide
FormulaC20 H26 N4 O2
Molecular Weight354.446
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nnc(c1)C2CC2)Cc4ccc(OCCN3CCCC3)cc4
SMILESCACTVS3.370O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc3cc([nH]n3)C4CC4
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4
Canonical SMILESCACTVS3.370 O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc3cc([nH]n3)C4CC4
Canonical SMILESOpenEye OEToolkits1.7.2 c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4
InChIInChI1.03 InChI=1S/C20H26N4O2/c25-20(21-19-14-18(22-23-19)16-5-6-16)13-15-3-7-17(8-4-15)26-12-11-24-9-1-2-10-24/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H2,21,22,23,25)
InChIKeyInChI1.03 RBPFQBARVLHLER-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5331001
ChEMBL CHEMBL323821