CAS 3608-86-4

2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

Description:

2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide, with the CAS number 3608-86-4, is a chemical compound that belongs to the class of pyrazole derivatives. It features a chloro substituent and an acetamide functional group, which contribute to its reactivity and potential biological activity. The presence of the dimethyl and phenyl groups enhances its lipophilicity, potentially influencing its solubility and interaction with biological membranes. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its structure suggests potential applications in drug development, particularly in areas targeting specific biological pathways. The compound's stability, reactivity, and interaction with other molecules can be influenced by its functional groups, making it a subject of study for its synthesis and potential therapeutic uses. As with many chemical substances, safety data and handling precautions should be considered when working with this compound in laboratory settings.

Formula: C₁₃H₁₄ClN₃O₂

InChI: InChI=1/C13H14ClN3O2/c1-9-12(15-11(18)8-14)13(19)17(16(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,18)

SMILES: Cc1c(c(=O)n(c2ccccc2)n1C)N=C(CCl)O

Synonyms:

• Acetamide, 2-chloro-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
• 2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

CAS: 3608-86-4

2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide (CPA) is a chemical compound that belongs to the class of phenyl pyrazoles. It has a thermal stability and is soluble in organic solvents. CPA crystallizes in the monoclinic system with the space group P21/c, with the following unit cell parameters: a = 8.943(4) Å, b = 7.878(3) Å, c = 17.834(6) Å, α = 90°, β = 112° and γ = 90°. In this crystal structure, there are two molecules of chloride per molecule of CPA. The crystal x ray diffraction pattern showed that this compound forms dimers in solution at room temperature and can be dissolved

Formula: C₁₃H₁₄ClN₃O₂

Purity: Min. 95%

Molecular weight: 279.72 g/mol

Ref: 3D-FC113949