5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

Basic Information

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CAS Number

330792-70-6

Molecular Formula

C16H12N4O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

585.3±50.0℃ at 760 mmHg

Solubility

Insuluble (3.0E-4 g/L) (25 ºC),

SMILES

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N#CC1=C(N)NN=C1C2=CC=C(OC3=CC=CC=C3)C=C2

InChI

InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)

InChIKey

HNIMEQCLCNSCGH-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole
1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-
3-amino-5-(4-phenoxyphenyl)-1H-Pyrazole-4-carbonitrile
IBL 4
AK102032
ANW-62438
CTK8B9385
KB-244559
SureCN202119
3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

MDL Number

MFCD20270361

FAQ

What are the physical and chemical properties of 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile (CAS: 330792-70-6)?

5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile is a crystalline solid with a molecular weight of approximately 314.31 g/mol. It is slightly soluble in water but soluble in common organic solvents like DMSO, DMF, and acetonitrile. This compound is known for its stable structure and low reactivity under normal conditions. However, it can react with strong bases and acids to form different products.

How is 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile (CAS: 330792-70-6) typically synthesized?

5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile is typically synthesized via a multi-step process involving the protection of the phenolic hydroxyl group, followed by coupling with the appropriate pyrazole derivative. The final step involves deprotection and purification. This synthesis typically requires the use of catalysts and reagents such as triphenylphosphine and HATU for the coupling reaction.

What industries use 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile (CAS: 330792-70-6)?

5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile is used in various industries, including pharmaceuticals, where it serves as a potential lead compound for drug development. It also has applications in the formulation of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile (CAS: 330792-70-6)?

When handling 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and laboratory coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. In case of spill, use absorbent material to contain the spill and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.