10K

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

Created:2011-04-05
Last modified:  2013-05-01

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count43
Aromatic Bond Count17
2D diagram of 10K

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Chemical Component Summary

NameN-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide
Systematic Name (OpenEye OEToolkits)N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(4-thiophen-2-ylphenyl)ethanamide
FormulaC18 H17 N3 O S
Molecular Weight323.412
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cc(nn1)C2CC2)Cc4ccc(c3sccc3)cc4
SMILESCACTVS3.370O=C(Cc1ccc(cc1)c2sccc2)Nc3[nH]nc(c3)C4CC4
SMILESOpenEye OEToolkits1.7.0c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4
Canonical SMILESCACTVS3.370 O=C(Cc1ccc(cc1)c2sccc2)Nc3[nH]nc(c3)C4CC4
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4
InChIInChI1.03 InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
InChIKeyInChI1.03 LQBKAYJFACGUCC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5331007
ChEMBL CHEMBL114636