103646-82-8 | 5-Amino-1-(4-methylphenyl)-1h-pyrazole-4-carbonitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$25.00	$18.00
1g	95%	in stock	$66.00	$47.00
5g	95%	in stock	$172.00	$121.00
25g	95%	in stock	$760.00	$532.00

Description

• Catalog Number: AE10040
• Chemical Name: 5-Amino-1-(4-methylphenyl)-1h-pyrazole-4-carbonitrile
• CAS Number: 103646-82-8
• Molecular Formula: C11H10N4
• Molecular Weight: 198.2239
• MDL Number: MFCD00052944
• SMILES: N#Cc1cnn(c1N)c1ccc(cc1)C

Computed Properties

• Complexity: 261
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.2

Upstream Synthesis Route

5-Amino-1-(p-tolyl)-1H-pyrazole-4-carbonitrile, also known as $name$, is a versatile chemical compound widely used in chemical synthesis processes. With its unique molecular structure, this compound serves as a crucial building block in the preparation of various organic compounds and pharmaceuticals.In chemical synthesis, $name$ acts as a key intermediate for the synthesis of diverse pyrazole derivatives. Its amino and carbonitrile functional groups enable it to participate in a wide range of reactions, such as nucleophilic substitution, condensation, and cyclization reactions. These reactions allow for the efficient modification of the compound to introduce different substituents and structural variations, thus leading to the creation of novel organic molecules with tailored properties.Moreover, the presence of the p-tolyl group in $name$ provides an element of steric hindrance, which can influence the selectivity and regiochemistry of chemical reactions involving this compound. This characteristic makes $name$ particularly valuable in fine-tuning the reactivity and specificity of synthetic pathways, ultimately facilitating the creation of complex molecular structures with high precision.Overall, the application of 5-Amino-1-(p-tolyl)-1H-pyrazole-4-carbonitrile in chemical synthesis underscores its significance as a strategic building block for designing and synthesizing biologically active compounds, agrochemicals, and materials with tailored properties and functionalities.

Literature

• Synthesis of N-aryl-5-amino-4-cyanopyrazole derivatives as potent xanthine oxidase inhibitors.

  European journal of medicinal chemistry 20080401

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501