1H-Pyrazole-1-propanenitrile, 5-amino-3-methyl-


Chemical Name: 1H-Pyrazole-1-propanenitrile, 5-amino-3-methyl-
CAS Number: 61255-82-1
Product Number: AG00EFUR(AGN-PC-0KEUYD)
Synonyms:
MDL No:
Molecular Formula: C7H10N4
Molecular Weight: 150.1811

Identification/Properties


Properties
BP:
367.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
150.185g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
150.091g/mol
Monoisotopic Mass:
150.091g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
171
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-(5-Amino-3-methyl-1H-pyrazol-1-yl)propanenitrile, also known as $name$, is a versatile compound used in chemical synthesis for its unique structural properties and reactivity. In organic chemistry, this compound plays a crucial role as a building block in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals. Its functional groups enable it to participate in a range of chemical reactions, leading to the formation of complex molecules with diverse applications. One significant application of 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)propanenitrile is its use in the preparation of heterocyclic compounds. By incorporating this compound into the structure, chemists can introduce nitrogen-containing rings, which are prevalent in many biologically active molecules. Moreover, its amino and nitrile groups provide handles for further functionalization, allowing for the modification of its properties and the creation of derivatives with tailored characteristics.Additionally, 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)propanenitrile serves as a valuable intermediate in the synthesis of substances with pharmacological activities. By manipulating its chemical structure, researchers can access a wide range of bioactive compounds, including potential drug candidates and therapeutic agents. This compound's functional groups offer strategic sites for introducing specific functionalities or moieties that are critical for enhancing biological interactions, thereby expanding the scope of drug discovery and development efforts. In conclusion, the application of 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)propanenitrile in chemical synthesis encompasses its pivotal role as a building block for constructing complex molecules, especially in the creation of heterocyclic compounds and bioactive substances. Its versatility and reactivity make it a valuable tool for synthetic chemists aiming to access a diverse array of functionalized compounds with potential applications in pharmaceuticals, agrochemicals, and other sectors.