1H-Pyrazol-5-amine, 1-(1,1-dimethylethyl)-3-methyl-


Chemical Name: 1H-Pyrazol-5-amine, 1-(1,1-dimethylethyl)-3-methyl-
CAS Number: 141459-53-2
Product Number: AG009B5P(AGN-PC-0JVOQ3)
Synonyms:
MDL No:
Molecular Formula: C8H15N3
Molecular Weight: 153.2248

Identification/Properties


Computed Properties
Molecular Weight:
153.229g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
153.127g/mol
Monoisotopic Mass:
153.127g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
139
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(tert-Butyl)-3-methyl-1H-pyrazol-5-amine, also known as $name$, serves as a versatile building block in chemical synthesis. With its unique structure and reactivity, this compound is widely utilized in the development of pharmaceuticals, agrochemicals, and other fine chemicals. In organic synthesis, $name$ can be employed as a key intermediate in the preparation of various functionalized pyrazole derivatives. Its presence introduces a tert-butyl group that imparts steric hindrance, influencing the molecule's conformation and overall properties. Additionally, the amino group provides opportunities for further derivatization, enabling the creation of diverse molecular structures with tailored properties. By incorporating 1-(tert-Butyl)-3-methyl-1H-pyrazol-5-amine into synthetic routes, chemists can access a range of novel compounds for potential applications in drug discovery, material science, and beyond.