3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Basic Information

View in Editor

CAS Number

330786-24-8

Molecular Formula

C17H13N5O

Molecular Weight

303.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Solubility

Insuluble (1.2E-3 g/L) (25 ºC),

SMILES

View in Editor

Nc1ncnc2[nH]nc(c3ccc(Oc4ccccc4)cc3)c12

InChI

InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)

InChIKey

YYVUOZULIDAKRN-UHFFFAOYSA-N

LogP

3.394400000000002

Topological Polar Surface Area

89.71000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Safety Information

View Safety Information

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

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

Synonyms & References

English

5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine
4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine
: 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine
1H-Pyrazole, 3-(4-phenoxyphenyl)-
3-(4-phenoxy-phenyl)-1(2)H-pyrazole
3-(4-phenoxyphenyl)-1H-pyrazole
3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
3-[4-phenoxyphenyl]pyrazole
AC1MD5RK
ACMC-20me6r
CHEMBL41864
Maybridge3_001296
Oprea1_637414
SureCN3364770
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-D]pyrimidine-4-amine
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-
3-(4-phenoxyphenyl)-1 h- pyrazole and [3,4- d] pyrimidine-4-amine
Ibrutinib deacryloylpiperidine

MDL Number

MFCD20270360

FAQ

What is 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 330786-24-8)?

3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 330786-24-8) is a heterocyclic compound containing a pyrazolo[3,4-d]pyrimidine ring substituted with a 4-phenoxyphenyl group and an amino group. It is known for its potential biological activity and is commonly used in research and pharmaceutical development. Its molecular formula is C18H15N5O.

What are the main uses of 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 330786-24-8)?

This compound is primarily used in pharmaceutical research for its potential as a medicinal chemical, particularly in the development of drugs targeting neurological or metabolic disorders. It may also serve as an intermediate in the synthesis of other bioactive molecules. Its applications are expanding in drug discovery and chemical research fields.

Is 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 330786-24-8) safe?

Safety of 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 330786-24-8) depends on its handling and exposure conditions. It is generally considered safe in controlled laboratory settings when proper protective measures are taken. However, as with many chemical compounds, it should be handled with care, and safety data sheets should be consulted for detailed information on toxicity and handling procedures.

How should 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 330786-24-8) be stored?

3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 330786-24-8) should be stored in a cool, dry, and dark place to maintain stability. It is typically kept in a sealed container away from moisture and light. Proper storage conditions are crucial to prevent degradation and ensure the compound remains effective for research or pharmaceutical use.