1H-Pyrazol-5-amine, 3-(4-fluorophenyl)-1-methyl-


Chemical Name: 1H-Pyrazol-5-amine, 3-(4-fluorophenyl)-1-methyl-
CAS Number: 126417-81-0
Product Number: AG000SS5(AGN-PC-0LU53C)
Synonyms:
MDL No:
Molecular Formula: C10H10FN3
Molecular Weight: 191.2049

Identification/Properties


Computed Properties
Molecular Weight:
191.209g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
191.086g/mol
Monoisotopic Mass:
191.086g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
192
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P264-P270-P301+P310+P330-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine is a versatile compound commonly used in chemical synthesis as a key building block in the preparation of various important molecules. Due to its unique molecular structure, this compound plays a crucial role in the development of pharmaceuticals, agrochemicals, and materials science.In chemical synthesis, 3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine can serve as a precursor in the synthesis of heterocyclic compounds, which are essential in drug discovery and development. Its functional groups and reactivity make it an ideal starting material for the production of new chemical entities with potential biological activities.Furthermore, this compound can be utilized in the synthesis of various organic molecules through reactions such as Suzuki coupling, Buchwald-Hartwig amination, and Heck coupling. These synthetic pathways enable the incorporation of 3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine into complex molecular structures, expanding its utility in diverse chemical transformations.Overall, the strategic incorporation of 3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine in chemical synthesis serves as a fundamental step in the creation of novel compounds with potential applications in the fields of medicine, agriculture, and materials research.