1H-Pyrazol-3-amine,5-[4-(trifluoromethyl)phenyl]-


Chemical Name: 1H-Pyrazol-3-amine,5-[4-(trifluoromethyl)phenyl]-
CAS Number: 130599-34-7
Product Number: AG0080M8(AGN-PC-0PJ9WB)
Synonyms:
MDL No:
Molecular Formula: C10H8F3N3
Molecular Weight: 227.1858

Identification/Properties


Computed Properties
Molecular Weight:
227.19g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
227.067g/mol
Monoisotopic Mass:
227.067g/mol
Topological Polar Surface Area:
54.7A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
236
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



The compound 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazol-5-amine, known for its unique chemical structure, plays a crucial role in chemical synthesis applications. Due to its reactive nature and strategic positioning of functional groups, this compound serves as a valuable building block in the preparation of various organic molecules. Its trifluoromethylphenyl group imparts distinct properties to the synthesized compounds, making them potentially useful in pharmaceuticals, agrochemicals, and materials science. In synthetic chemistry, this compound can be utilized in the creation of novel drug candidates, agrochemicals with enhanced bioactivity, and advanced materials with tailored properties. Its versatile reactivity and structural features make it a key component in the construction of complex molecular architectures for diverse applications.