CAS 852840-43-8

1-(3,5-Dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Description:

1-(3,5-Dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, with the CAS number 852840-43-8, is a chemical compound characterized by its unique pyrazolo-pyrimidine structure. This compound features a fused ring system that includes both pyrazole and pyrimidine moieties, contributing to its potential biological activity. The presence of the 3,5-dimethylphenyl group enhances its lipophilicity, which may influence its interaction with biological targets. Typically, compounds of this class are investigated for their pharmacological properties, including anti-inflammatory, analgesic, or antitumor activities. The molecular structure suggests the potential for hydrogen bonding and π-π stacking interactions, which are important for binding to biological macromolecules. Additionally, the compound may exhibit moderate to high stability under standard laboratory conditions, making it suitable for various synthetic and analytical applications. As with many organic compounds, its solubility, reactivity, and stability can vary based on environmental conditions and the presence of other substances.

Formula: C₁₃H₁₂N₄O

InChI: InChI=1S/C13H12N4O/c1-8-3-9(2)5-10(4-8)17-12-11(6-16-17)13(18)15-7-14-12/h3-7H,1-2H3,(H,14,15,18)

InChI key: InChIKey=PJQFZUZMLYDYIR-UHFFFAOYSA-N

SMILES: O=C1C2=C(N(N=C2)C3=CC(C)=CC(C)=C3)NC=N1

Synonyms:

• 1-(3,5-Dimethyl-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
• 1-(3,5-Dimethylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
• 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1-(3,5-dimethylphenyl)-1,5-dihydro-
• 1-(3,5-Dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
• 1-(3,5-Dimethyl-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidine-4-one

1-(3,5-Dimethylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS: 852840-43-8

Versatile small molecule scaffold

Formula: C₁₃H₁₂N₄O

Purity: Min. 95%

Molecular weight: 240.26 g/mol

Ref: 3D-CJB84043