1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Identification

Molecular formula

C₅H₅N₃O

CAS number

5411-40-3

IUPAC name

1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

State

At room temperature, 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one is in a solid state. It is generally stable and does not volatilize easily under standard conditions.

Melting point (Celsius)

157.00

Melting point (Kelvin)

430.15

Boiling point (Celsius)

553.20

Boiling point (Kelvin)

826.37

General information

Molecular weight

136.11g/mol

Molar mass

136.1230g/mol

Density

1.4600g/cm³

Appearence

1,2-Dihydropyrazolo[3,4-d]pyrimidin-4-one appears as a crystalline solid powder. Its color can range from white to light yellow depending on purity and external conditions. It is typically produced in laboratory settings for research purposes.

Comment on solubility

Solubility of 1,2-Dihydropyrazolo[3,4-d]pyrimidin-4-one

The solubility of 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one (C₅H₅N₃O) can be quite intriguing due to its unique chemical structure. This compound exhibits characteristics that influence its solubility in various solvents.

Factors Influencing Solubility

Several factors can affect the solubility of this compound:

Polarity: The presence of nitrogen and oxygen in the molecular structure contributes to polarity, which can enhance solubility in polar solvents.
Hydrogen Bonding: The capability of 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one to engage in hydrogen bonding can further affect solubility, particularly in aqueous environments.
Temperature: Generally, increasing the temperature can improve the solubility of many organic compounds, providing a potential route for enhanced solubility under elevated conditions.

Expected Solubility

While specific quantitative solubility data might be limited, initial assessments suggest:

This compound is likely to exhibit moderate solubility in water due to its polar functional groups.
It may also show better solubility in organic solvents such as ethanol and DMSO, where polarity interactions are more favorable.
pH-dependent solubility: Depending on the pH of the solution, solubility may vary due to protonation states of the nitrogen species.

In conclusion, the solubility of 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one is influenced by a variety of factors, making it a compound of interest in the field of chemistry for both solubility studies and practical applications.

Interesting facts

Interesting Facts about 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one is a fascinating compound in the realm of medicinal chemistry and drug development. Here are some engaging facts about this unique molecule:

Structural Significance: The compound features a fused bicyclic structure consisting of both pyrazole and pyrimidine rings, contributing to its unique chemical properties.
Biological Activity: Compounds like 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one often exhibit significant biological activities, including potential anti-cancer and anti-inflammatory properties. This makes them intriguing candidates for further research.
Research Potential: Studies have shown that this compound might interact with various enzyme systems, making it a subject of interest in the exploration of novel therapeutic agents.
Synthesis Pathways: The synthesis of this compound involves several chemical transformations, often entailing the use of versatile reagents and catalysts, showcasing the beauty and complexity of organic chemistry.

As noted in the literature, "the innovative design of such compounds is crucial for the development of next-generation drugs." This underscores the importance of compounds like 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one in advancing pharmaceutical science.

In summary, 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one not only highlights the intricate world of heterocyclic compounds but also serves as a reminder of the potential that chemical synthesis holds in unlocking new therapeutic avenues.