Catalog No.:AA003MB7

7152-40-1 | 5-Amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile

Name: Name:5-Amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile
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SKU: AA003MB7
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Technical Information
Properties
Downstream Synthesis Route
Literature
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Download SDS

Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA003MB7

Chemical Name:

5-Amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile

CAS Number:

7152-40-1

Molecular Formula:

C12H9N5

Molecular Weight:

223.2334

MDL Number:

MFCD00020729

SMILES:

N#CCc1nn(c(c1C#N)N)c1ccccc1

NSC Number:

22494

Properties

Form:

Solid

Computed Properties

Complexity:

356

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

1.5

Downstream Synthesis Route

7152-40-1

100517-95-1

108564-92-7

[1]Taylor;Hartke[JournaloftheAmericanChemicalSociety,1959,vol.81,p.2452,2455]Sato[JournalofOrganicChemistry,1959,vol.24,p.963,965]

7152-40-1

95-92-1

101118-22-3

[1]Taylor;Hartke[JournaloftheAmericanChemicalSociety,1959,vol.81,p.2452,2455]

7152-40-1

100517-95-1

[1]Smyth,LynetteA.;Matthews,ThomasP.;Horton,PeterN.;Hursthouse,Michael.B.;Collins,Ian[Tetrahedron,2007,vol.63,#39,p.9627-9634]

[2]Taylor;Hartke[JournaloftheAmericanChemicalSociety,1959,vol.81,p.2452,2455]

7152-40-1

100884-96-6

[1]Taylor;Hartke[JournaloftheAmericanChemicalSociety,1959,vol.81,p.2452,2455]

868-54-2

100-63-0

7152-40-1

[1]Smyth,LynetteA.;Matthews,ThomasP.;Horton,PeterN.;Hursthouse,Michael.B.;Collins,Ian[Tetrahedron,2007,vol.63,#39,p.9627-9634]

[2]Taylor;Hartke[JournaloftheAmericanChemicalSociety,1959,vol.81,p.2452,2455]Sato[JournalofOrganicChemistry,1959,vol.24,p.963,965]Carbonietal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.2838]

[3]Kankanala,Jayakanth;Marchand,Christophe;Abdelmalak,Monica;Aihara,Hideki;Pommier,Yves;Wang,Zhengqiang[JournalofMedicinalChemistry,2016,vol.59,#6,p.2734-2746]

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS