1-Nitropyrazole


Chemical Name: 1-Nitropyrazole
CAS Number: 7119-95-1
Product Number: AG00F9WE(AGN-PC-0WA4RC)
Synonyms:
MDL No:
Molecular Formula: C3H3N3O2
Molecular Weight: 113.0748

Identification/Properties


Computed Properties
Molecular Weight:
113.076g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
113.023g/mol
Monoisotopic Mass:
113.023g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
99.2
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



1-Nitropyrazole is a versatile compound widely utilized in chemical synthesis due to its unique properties and reactivity. As a nitro-substituted heterocyclic compound, 1-Nitropyrazole serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials.In organic synthesis, 1-Nitropyrazole is commonly employed as a precursor for the introduction of the nitro group into target molecules. Its nitro functionality can undergo a range of chemical transformations, such as reduction, nucleophilic substitution, and transition metal-catalyzed reactions, enabling the modification of molecular structures to achieve specific properties or functionalities.Furthermore, 1-Nitropyrazole exhibits potential applications in the development of energetic materials due to its energetic nitro group. This compound can serve as a key component in the synthesis of energetic compounds, propellants, and explosives, contributing to advancements in the field of energetic materials research.Overall, 1-Nitropyrazole plays a crucial role in chemical synthesis, offering a valuable avenue for the creation of diverse compounds with varied applications in pharmaceuticals, materials science, and energetic materials research.