5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
- CAS NO.：330792-70-6
- Empirical Formula: C16H12N4O
- Molecular Weight: 276.29
- MDL number: MFCD20270361
- EINECS: 805-642-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-08-28 17:34:51
What is 5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile?
Chemical properties
Light yellow to off-white powder.
The Uses of 5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole has been used as a reactant in the preparation of ring-fused pyrazole derivatives to be used a inhibitors of lymphocyte-specific kinase (Lck)
What are the applications of Application
5-amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile is an intermediate of Ibrutinib (PCI-32765). it is a heterocyclic intermediate that typically used in the preparation of ACP-196, a selective second-generation BTK inhibitor.
Properties of 5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
| Boiling point: | 585.3±50.0 °C(Predicted) |
| Density | 1.37±0.1 g/cm3(Predicted) |
| refractive index | 1.699 |
| Flash point: | 307.8℃ |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | DMSO (Slightly) |
| pka | 10.83±0.50(Predicted) |
| 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) |
Safety information for 5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
| InChIKey | HNIMEQCLCNSCGH-UHFFFAOYSA-N |
| SMILES | N1C(C2=CC=C(OC3=CC=CC=C3)C=C2)=C(C#N)C(N)=N1 |
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