Name: Name:1H,4H,5H,6H-Cyclopenta[c]pyrazole-3-carbonitrile
Brand: AABLOCKS
SKU: AA00G83M
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00G83M

Chemical Name: 1H,4H,5H,6H-Cyclopenta[c]pyrazole-3-carbonitrile

CAS Number: 851776-29-9

Molecular Formula: C7H7N3

Molecular Weight: 133.1506

MDL Number: MFCD11109619

SMILES: N#Cc1n[nH]c2c1CCC2

Properties

Complexity: 181

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 10

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1

Downstream Synthesis Route

851776-30-2

851776-29-9

[1]Locationinpatent:experimentalpartWilson,RobertD.;Cleator,Ed;Ashwood,MichaelS.;Bio,MatthewM.;Brands,KarelM.J.;Davies,AntonyJ.;Dolling,Ulf-H;Emerson,KhateetaM.;Gibb,AndrewD.;Hands,David;McKeown,ArleneE.;Oliver,StevenF.;Reamer,RobertA.;Sheen,FayeJ.;Stewart,GavinW.;Zhou,GeorgeX.[OrganicProcessResearchandDevelopment,2009,vol.13,#3,p.543-547]

[2]Locationinpatent:experimentalpartSemple,Graeme;Skinner,PhilipJ.;Gharbaoui,Tawfik;Shin,Young-Jun;Jung,Jae-Kyu;Cherrier,MartinC.;Webb,PeterJ.;Tamura,SusanY.;Boatman,P.Douglas;Sage,CarletonR.;Schrader,ThomasO.;Chen,Ruoping;Colletti,StevenL.;Tata,JamesR.;Waters,M.Gerard;Cheng,Kang;Taggart,AndrewK.;Cai,Tian-Quan;Carballo-Jane,Ester;Behan,DominicP.;Connolly,DanielT.;Richman,JeremyG.[JournalofMedicinalChemistry,2008,vol.51,#16,p.5101-5108]

[3]CurrentPatentAssignee:PFIZERINC;MERCK&COINC-WO2005/44816,2005,A1Locationinpatent:Page/Pagecolumn60

[4]CurrentPatentAssignee:MERCK&COINC-WO2006/26273,2006,A2Locationinpatent:Page/Pagecolumn39

851776-29-9

851776-28-8

[1]Locationinpatent:experimentalpartSemple,Graeme;Skinner,PhilipJ.;Gharbaoui,Tawfik;Shin,Young-Jun;Jung,Jae-Kyu;Cherrier,MartinC.;Webb,PeterJ.;Tamura,SusanY.;Boatman,P.Douglas;Sage,CarletonR.;Schrader,ThomasO.;Chen,Ruoping;Colletti,StevenL.;Tata,JamesR.;Waters,M.Gerard;Cheng,Kang;Taggart,AndrewK.;Cai,Tian-Quan;Carballo-Jane,Ester;Behan,DominicP.;Connolly,DanielT.;Richman,JeremyG.[JournalofMedicinalChemistry,2008,vol.51,#16,p.5101-5108]

[2]CurrentPatentAssignee:PFIZERINC;MERCK&COINC-WO2005/44816,2005,A1Locationinpatent:Page/Pagecolumn59

[3]CurrentPatentAssignee:MERCK&COINC-WO2006/26273,2006,A2Locationinpatent:Page/Pagecolumn38

851776-30-2

75-05-8

851776-29-9

[1]CurrentPatentAssignee:PFIZERINC-WO2006/52569,2006,A1Locationinpatent:Page/Pagecolumn75

851776-29-9

851776-28-8

[1]Locationinpatent:experimentalpartWilson,RobertD.;Cleator,Ed;Ashwood,MichaelS.;Bio,MatthewM.;Brands,KarelM.J.;Davies,AntonyJ.;Dolling,Ulf-H;Emerson,KhateetaM.;Gibb,AndrewD.;Hands,David;McKeown,ArleneE.;Oliver,StevenF.;Reamer,RobertA.;Sheen,FayeJ.;Stewart,GavinW.;Zhou,GeorgeX.[OrganicProcessResearchandDevelopment,2009,vol.13,#3,p.543-547]

[2]CurrentPatentAssignee:PFIZERINC-WO2006/52569,2006,A1Locationinpatent:Page/Pagecolumn73

851776-29-9

1426309-14-9

[1]CurrentPatentAssignee:BAYERAG-US2013/210824,2013,A1

[2]CurrentPatentAssignee:BAYERAG-US2013/338137,2013,A1

851776-29-9 | 1H,4H,5H,6H-Cyclopenta[c]pyrazole-3-carbonitrile