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351990-69-7,MFCD01528031
Catalog No.:AA00C87Z

351990-69-7 | 5-Amino-4-chloro-1h-pyrazole-3-carboxylic acid

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Technical Information
Catalog Number:
AA00C87Z
Chemical Name:
5-Amino-4-chloro-1h-pyrazole-3-carboxylic acid
CAS Number:
351990-69-7
Molecular Formula:
C4H4ClN3O2
Molecular Weight:
161.5465
MDL Number:
MFCD01528031
SMILES:
OC(=O)c1n[nH]c(c1Cl)N
Properties
Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
0.4  

Downstream Synthesis Route
4-chloro-3(5)-nitropyrazole-5(3)-carboxylicacid 
  351990-69-7 

[1]Locationinpatent:experimentalpartDalinger;Vatsadse;Shkineva;Popova;Ugrak;Shevelev[RussianChemicalBulletin,2010,vol.59,#8,p.1631-1638]

351990-69-7   
2-(((3R,4S)-3-fluoropiperidin-4-yl)oxy)-5-(4-((4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile 
 
2-(((3R,4S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-fluoropiperidin-4-yl)oxy)-5-(4-((4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile 

[1]CurrentPatentAssignee:GILEADSCIENCESINC-US2016/96827,2016,A1Locationinpatent:Paragraph1182;1183;1184

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Tags:351990-69-7 Molecular Formula|351990-69-7 MDL|351990-69-7 SMILES|351990-69-7 5-Amino-4-chloro-1h-pyrazole-3-carboxylic acid