3-(pyrazol-1-ylmethyl)aniline


Chemical Name: 3-(pyrazol-1-ylmethyl)aniline
CAS Number: 892502-09-9
Product Number: AG0041V6(AGN-PC-0LU64F)
Synonyms:
MDL No: MFCD03422525
Molecular Formula: C10H11N3
Molecular Weight: 173.2144

Identification/Properties


Computed Properties
Molecular Weight:
173.219g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
173.095g/mol
Monoisotopic Mass:
173.095g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
160
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-[(1-Pyrazolyl)methyl]aniline, commonly referred to as $name$, is a versatile compound that finds wide application in chemical synthesis. Due to its unique structure, $name$ is utilized as a key building block in the preparation of various pharmaceuticals, agrochemicals, and advanced materials. In organic synthesis, it serves as a valuable intermediate for the production of diverse heterocyclic compounds, providing a crucial scaffold for the development of new molecules with specific biological or material properties. By incorporating $name$ into synthetic routes, chemists can access a rich array of functionalized derivatives, enabling the synthesis of complex molecules with tailored properties and enhanced functionalities. Its presence in the arsenal of synthetic chemists enhances the scope and efficiency of chemical transformations, contributing to the advancement of novel compounds and materials with potential applications in the fields of medicine, agriculture, and materials science.