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

CAS: 3608-86-4

Ref. 3D-FC113949

Product Information

• Name: 2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
• Brand: Biosynth
• Description: 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

Chemical properties

• Molecular weight: 279.72 g/mol
• Formula: C₁₃H₁₄ClN₃O₂
• Purity: Min. 95%
• InChI: InChI=1S/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)
• InChI key: InChIKey=FFEHHJFDJVQCCX-UHFFFAOYSA-N
• SMILES: Cc1c(NC(=O)CCl)c(=O)n(-c2ccccc2)n1C