2-(4-bromo-1H-pyrazol-1-yl)-N-methylacetamide(SALTDATA


Chemical Name: 2-(4-bromo-1H-pyrazol-1-yl)-N-methylacetamide(SALTDATA
CAS Number: 1179904-89-2
Product Number: AG008VIW(AGN-PC-0WB5HD)
Synonyms:
MDL No: MFCD12819524
Molecular Formula: C6H8BrN3O
Molecular Weight: 218.0512

Identification/Properties


Computed Properties
Molecular Weight:
218.054g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
216.985g/mol
Monoisotopic Mass:
216.985g/mol
Topological Polar Surface Area:
46.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
153
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



2-(4-Bromo-1H-pyrazol-1-yl)-N-methylacetamide is a versatile compound widely used in chemical synthesis due to its unique properties. This compound serves as a valuable building block in the preparation of various organic molecules, particularly in the pharmaceutical and agrochemical industries. Its functional groups make it an essential intermediate in the synthesis of complex chemical structures, allowing for the introduction of specific functionalities and structural modifications. Additionally, 2-(4-Bromo-1H-pyrazol-1-yl)-N-methylacetamide is known for its reactivity and compatibility with a wide range of coupling reactions, enabling efficient and precise manipulation in synthetic pathways. Its strategic incorporation in synthesis strategies contributes to the creation of novel molecular entities with potential biological activities. By harnessing the chemical reactivity of this compound, researchers can access diverse chemical space and develop innovative molecules for various applications.