![structure of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine](https://molwiki.oss-cn-hongkong.aliyuncs.com/structure/53/1000895-53-3.svg)
5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine
Names and Identifiers of 1000895-53-3
CAS Number |
1000895-53-3 |
|---|---|
EC Number |
850-737-4 |
MDL Number |
MFCD14705758 |
IUPAC Name |
5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine |
InChI |
InChI=1S/C13H17N3O2/c1-17-11-5-9(6-12(8-11)18-2)3-4-10-7-13(14)16-15-10/h5-8H,3-4H2,1-2H3,(H3,14,15,16) |
InChIKey |
QKEFSZDRDPDTTE-UHFFFAOYSA-N |
Canonical SMILES |
COC1=CC(=CC(=C1)CCC2=CC(=NN2)N)OC |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000895-53-3
Density |
1.207 g/cm3 |
|---|---|
Exact Mass |
247.13200 |
H Bond Acceptors |
4 |
H Bond Donors |
2 |
LogP |
2.37550 |
Molecular Formula |
C13H17N3O2 |
Molecular Weight |
247.29300 |
PSA |
73.16000 |
Storage condition |
2-8°C(protect from light) |
Safety Information of 1000895-53-3
Interaction Studies of 1000895-53-3
Interaction studies involving 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine often focus on its binding affinity to specific biological targets. Molecular docking studies have been employed to predict how this compound interacts with enzymes or receptors implicated in disease processes. Such studies provide insights into the mechanism of action and help in optimizing the compound for better therapeutic outcomes .
Biological Activity of 1000895-53-3
Research indicates that compounds similar to 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine may exhibit significant biological activities, including anti-inflammatory and anticancer properties. For example, studies have shown that certain pyrazole derivatives can inhibit cyclooxygenase enzymes, which are involved in inflammatory processes . Additionally, some derivatives have demonstrated cytotoxic effects against various cancer cell lines.
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