57121-49-0 | 4-Ethynyl-1H-pyrazole

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$17.00	$12.00
250mg	98%	in stock	$30.00	$21.00
1g	98%	in stock	$94.00	$66.00
5g	98%	in stock	$258.00	$181.00
10g	98%	in stock	$480.00	$336.00

Description

• Catalog Number: AB52687
• Chemical Name: 4-Ethynyl-1H-pyrazole
• CAS Number: 57121-49-0
• Molecular Formula: C5H4N2
• Molecular Weight: 92.0987
• MDL Number: MFCD18207413
• SMILES: C#Cc1c[nH]nc1

Computed Properties

• Complexity: 99.9
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 7
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.3

Upstream Synthesis Route

4-Ethynyl-1H-pyrazole is a versatile compound widely used in chemical synthesis due to its unique structural properties and reactivity. As a key building block in organic chemistry, 4-Ethynyl-1H-pyrazole can participate in a variety of reactions to produce valuable intermediates and final products.One important application of 4-Ethynyl-1H-pyrazole is its role as a synthetic precursor for the preparation of various heterocyclic compounds. By incorporating 4-Ethynyl-1H-pyrazole into chemical reactions, researchers can access a diverse array of heterocycles that are crucial in the development of pharmaceuticals, agrochemicals, and materials science. The presence of the ethynyl group in 4-Ethynyl-1H-pyrazole allows for further functionalization through Sonogashira cross-coupling reactions, enabling the construction of more complex molecular structures.Additionally, 4-Ethynyl-1H-pyrazole can serve as a scaffold for the synthesis of conjugated organic molecules with potential optoelectronic applications. Its ability to undergo annulation reactions and form π-conjugated systems makes it a valuable precursor for the development of organic semiconductors, dyes, and materials for electronic devices. The presence of the pyrazole ring in 4-Ethynyl-1H-pyrazole also imparts unique electronic and steric properties to the synthesized compounds, further expanding their applications in materials science and nanotechnology.