1H-Pyrazole, 3-cyclopropyl-


Chemical Name: 1H-Pyrazole, 3-cyclopropyl-
CAS Number: 100114-57-6
Product Number: AG000106(AGN-PC-0NUXBA)
Synonyms:
MDL No:
Molecular Formula: C6H8N2
Molecular Weight: 108.1411

Identification/Properties


Computed Properties
Molecular Weight:
108.144g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
108.069g/mol
Monoisotopic Mass:
108.069g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
88.5
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Cyclopropyl-1H-pyrazole is a versatile compound widely used in chemical synthesis due to its unique structural properties and reactivity. In the field of organic chemistry, this compound serves as a key building block for the synthesis of various biologically active molecules and pharmaceuticals. Its incorporation into molecular frameworks can lead to the development of novel compounds with potential applications in drug discovery and development.One of the primary applications of 3-Cyclopropyl-1H-pyrazole is in the synthesis of heterocyclic compounds, where its cyclopropyl group imparts rigidity and sterically hinders certain reactions, leading to selective transformations. This compound can undergo functional group interconversions, cycloadditions, and rearrangments, allowing for the efficient construction of complex molecular structures.Moreover, 3-Cyclopropyl-1H-pyrazole has been utilized in the preparation of agrochemicals, dyes, and materials with specific properties. Its presence in the chemical synthesis toolbox enables chemists to explore new synthetic routes, develop efficient methodologies, and ultimately contribute to the advancement of the field of organic chemistry.