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400756-39-0,MFCD02090839
Catalog No.:AA00BZXM

400756-39-0 | 4-Chloro-1-ethyl-1h-pyrazole-5-carboxylic acid

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100mg
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$113.00   $79.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BZXM
Chemical Name:
4-Chloro-1-ethyl-1h-pyrazole-5-carboxylic acid
CAS Number:
400756-39-0
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD02090839
SMILES:
CCn1ncc(c1C(=O)O)Cl
Properties
Computed Properties
 
Complexity:
165  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2009/147188,2009,A1Locationinpatent:Page/Pagecolumn133

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2009/147188,2009,A1

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2009/147188,2009,A1

400756-39-0   
C33H26ClN7O5S2 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2009/147188,2009,A1

400756-39-0   
{2‐azabicyclo2.1.1hexan‐1‐yl}methanamine 
 
N‐({2‐benzyl‐2‐azabicyclo2.1.1hexan‐1‐yl}methyl)‐4‐chloro‐1‐ethyl‐1H‐pyrazole‐5‐carboxamide 

[1]Cox,Brian;Duffy,James;Zdorichenko,Victor;Bellanger,Corentin;Hurcum,Jessica;Laleu,Benoît;Booker-Milburn,KevinI.;Elliott,LukeD.;Robertson-Ralph,Michael;Swain,ChristopherJ.;Bishop,StephenJ.;Hallyburton,Irene;Anderson,Mark[ACSMedicinalChemistryLetters,2020,vol.11,#12,p.2497-2503]

Literature
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SDS
Tags:400756-39-0 Molecular Formula|400756-39-0 MDL|400756-39-0 SMILES|400756-39-0 4-Chloro-1-ethyl-1h-pyrazole-5-carboxylic acid