5-tert-butyl-2-(3-methylphenyl)pyrazol-3-amine


Chemical Name: 5-tert-butyl-2-(3-methylphenyl)pyrazol-3-amine
CAS Number: 898537-77-4
Product Number: AG003XG4(AGN-PC-0LW75A)
Synonyms:
MDL No:
Molecular Formula: C14H19N3
Molecular Weight: 229.3208

Identification/Properties


Properties
Storage:
Light sensitive;Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
229.327g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
229.158g/mol
Monoisotopic Mass:
229.158g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
259
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



In chemical synthesis, 3-(tert-Butyl)-1-(m-tolyl)-1H-pyrazol-5-amine serves as a versatile building block for creating diverse molecular structures. This compound can be utilized as a key intermediate in the synthesis of various biologically active compounds, pharmaceuticals, and agrochemicals. Its unique structure and reactivity make it a valuable component in the development of novel materials and compounds with potential applications in medicinal chemistry and material science. By incorporating 3-(tert-Butyl)-1-(m-tolyl)-1H-pyrazol-5-amine into synthetic routes, chemists can access a wide range of functionalized molecules with tailored properties for specific applications in industry and research.