120068-79-3 | 5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cycano pyrazole

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$14.00	$10.00
5g	98%	in stock	$24.00	$17.00
25g	98%	in stock	$42.00	$30.00
100g	98%	in stock	$106.00	$75.00
500g	98%	in stock	$299.00	$209.00

Description

• Catalog Number: AA33783
• Chemical Name: 5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cycano pyrazole
• CAS Number: 120068-79-3
• Molecular Formula: C11H5Cl2F3N4
• Molecular Weight: 321.0854
• MDL Number: MFCD00227537
• SMILES: N#Cc1nn(c(c1)N)c1c(Cl)cc(cc1Cl)C(F)(F)F

Computed Properties

• Complexity: 398
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 3.7

Upstream Synthesis Route

5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile serves as a versatile building block in chemical synthesis, particularly in the realm of medicinal chemistry and pharmaceutical development. This compound exhibits a unique molecular structure that lends itself well to the creation of novel molecules with potential biological activity.In synthesis, 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile can be utilized as a key intermediate for the construction of various heterocyclic compounds. Its reactive carbonitrile group enables the introduction of diverse functional groups through synthetic modifications, allowing for the creation of structurally diverse analogues for biological evaluation.Furthermore, the presence of both amino and pyrazole moieties in this molecule offers opportunities for the development of new drug candidates targeting specific biological pathways. By incorporating 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile into synthetic routes, chemists can access a library of compounds with the potential to exhibit pharmacological activity against various disease targets.Overall, the strategic incorporation of 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile in chemical synthesis enables the exploration of new avenues in drug discovery and provides opportunities for the creation of innovative molecules with therapeutic potential.

Literature

• 2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-1H-pyrazol-5-yl}acetamide.

  Acta crystallographica. Section E, Structure reports online 20120101