2NU

2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide

Created:2021-06-23
Last modified:  2021-12-08

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count5
2D diagram of 2NU

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Chemical Component Summary

Name2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide
Systematic Name (OpenEye OEToolkits)2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide
FormulaC9 H12 Br N3 O
Molecular Weight258.115
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN(C1CC1)C(=O)Cn2cc(Br)cn2
SMILESOpenEye OEToolkits2.0.7CN(C1CC1)C(=O)Cn2cc(cn2)Br
Canonical SMILESCACTVS3.385 CN(C1CC1)C(=O)Cn2cc(Br)cn2
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C1CC1)C(=O)Cn2cc(cn2)Br
InChIInChI1.03 InChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3
InChIKeyInChI1.03 WFHPYRQFVJBTSS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 60582948