| Identification | Back Directory | [Name]
5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile | [CAS]
330792-70-6 | [Synonyms]
IbrutinibN-3
Zanubrutinib Impurity 8
Ibrutinib intermediate3
Ibrutinib intermediates N-3
Zanubrutinib Related Compound 6
3-AMino-4-cyano-5-(4-phenoxyphenyl)pyrazole
3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile
5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
3-amino-5-(4-phenoxyphenyl)-1H-Pyrazole-4-carbonitrile
1H-Pyrazole-4-carbonitrile, 3-aMino-5-(4-phenoxyphenyl)- | [EINECS(EC#)]
805-642-2 | [Molecular Formula]
C16H12N4O | [MDL Number]
MFCD20270361 | [MOL File]
330792-70-6.mol | [Molecular Weight]
276.293 |
| Chemical Properties | Back Directory | [Boiling point ]
585.3±50.0 °C(Predicted) | [density ]
1.37±0.1 g/cm3(Predicted) | [refractive index ]
1.699 | [Fp ]
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) | [InChIKey]
HNIMEQCLCNSCGH-UHFFFAOYSA-N | [SMILES]
N1C(C2=CC=C(OC3=CC=CC=C3)C=C2)=C(C#N)C(N)=N1 | [LogP]
3.25298 |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow to off-white powder. | [Uses]
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) | [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. |
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