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

5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile Structure
CAS No.
330792-70-6
Chemical Name:
5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
Synonyms
IbrutinibN-3;IbrutinibIntermediate4;Ibrutinib intermediate3;Zanubrutinib Impurity 8;Zanubrutinib impurity-20;Ibrutinib intermediates N-3;Zanubrutinib Related Compound 6;3-AMino-4-cyano-5-(4-phenoxyphenyl)pyrazole;3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile;3-amino-5-(4-phenoxyphenyl)-1H-Pyrazole-4-carbonitrile
CBNumber:
CB62604963
Molecular Formula:
C16H12N4O
Molecular Weight:
276.29
MOL File:
330792-70-6.mol
Modify Date:
2024/5/16 10:38:37

5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile Properties

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)
InChIKey HNIMEQCLCNSCGH-UHFFFAOYSA-N
SMILES N1C(C2=CC=C(OC3=CC=CC=C3)C=C2)=C(C#N)C(N)=N1
LogP 3.25298

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile Chemical Properties,Uses,Production

Chemical Properties

Light yellow to off-white powder.

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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5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile 3-amino-5-(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)pyrazole-4-carbonitrile Ibrutinib intermediates N-3 Zanubrutinib Related Compound 6 Zanubrutinib Impurity 8 Ibrutinib intermediate3 IbrutinibN-3 CAS330792-70-6 5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile Zanubrutinib KSM-II : (4-isocyano-3-(4-phenoxyphenyl)-1H-pyrazol-5-amine) Zanubrutinib impurity-8 (3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole IbrutinibIntermediate4 Zanubrutinib impurity-20 330792-70-6 330790-70-6 330792-70-6