09K

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

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

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count39
Aromatic Bond Count11
2D diagram of 09K

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Chemical Component Summary

NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
Systematic Name (OpenEye OEToolkits)N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide
FormulaC15 H14 F3 N3 O2
Molecular Weight325.286
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)Oc1ccc(cc1)CC(=O)Nc2cc(nn2)C3CC3
SMILESCACTVS3.370FC(F)(F)Oc1ccc(CC(=O)Nc2[nH]nc(c2)C3CC3)cc1
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F
Canonical SMILESCACTVS3.370 FC(F)(F)Oc1ccc(CC(=O)Nc2[nH]nc(c2)C3CC3)cc1
Canonical SMILESOpenEye OEToolkits1.7.2 c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F
InChIInChI1.03 InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
InChIKeyInChI1.03 YFXWYMXXKFMSOB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5331002
ChEMBL CHEMBL115994