Home Bromides 1222174-93-7
1222174-93-7,MFCD22370661
Catalog No.:AA0016UY

1222174-93-7 | 5-Bromo-1-methyl-1h-pyrazole-3-carboxylic acid

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Purity
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100mg
95%
in stock  
$174.00   $122.00
- +
250mg
95%
in stock  
$206.00   $144.00
- +
1g
98%
in stock  
$437.00   $306.00
- +
  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA0016UY
Chemical Name:
5-Bromo-1-methyl-1h-pyrazole-3-carboxylic acid
CAS Number:
1222174-93-7
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD22370661
SMILES:
Cn1nc(cc1Br)C(=O)O
Properties
Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2010/45188,2010,A1Locationinpatent:Page/Pagecolumn50;51

[1]Patent:US2014/194452,2014,A1.Locationinpatent:Paragraph0356-0358

[2]Patent:WO2014/108336,2014,A1.Locationinpatent:Page/Pagecolumn48;49

[3]Patent:US2015/166505,2015,A1.Locationinpatent:Paragraph0290;0294;0295;0296

[4]Patent:WO2015/90580,2015,A1.Locationinpatent:Page/Pagecolumn30

[5]Patent:WO2015/197187,2015,A1.Locationinpatent:Page/Pagecolumn27

[6]Patent:WO2010/45188,2010,A1.Locationinpatent:Page/Pagecolumn50

[7]JournalofMedicinalChemistry,2011,vol.54,p.8174-8187

[1]Locationinpatent:experimentalpartTaylor,StevenJ.;Abeywardane,Asitha;Liang,Shuang;Muegge,Ingo;Padyana,AnilK.;Xiong,Zhaoming;Hill-Drzewi,Melissa;Farmer,Bennett;Li,Xiang;Collins,Brandon;Li,JohnXiang;Heim-Riether,Alexander;Proudfoot,John;Zhang,Qiang;Goldberg,Daniel;Zuvela-Jelaska,Ljiljana;Zaher,Hani;Li,Jun;Farrow,NeilA.[JournalofMedicinalChemistry,2011,vol.54,#23,p.8174-8187]

[1]Taylor,StevenJ.;Abeywardane,Asitha;Liang,Shuang;Muegge,Ingo;Padyana,AnilK.;Xiong,Zhaoming;Hill-Drzewi,Melissa;Farmer,Bennett;Li,Xiang;Collins,Brandon;Li,JohnXiang;Heim-Riether,Alexander;Proudfoot,John;Zhang,Qiang;Goldberg,Daniel;Zuvela-Jelaska,Ljiljana;Zaher,Hani;Li,Jun;Farrow,NeilA.[JournalofMedicinalChemistry,2011,vol.54,#23,p.8174-8187]

[1]Taylor,StevenJ.;Abeywardane,Asitha;Liang,Shuang;Muegge,Ingo;Padyana,AnilK.;Xiong,Zhaoming;Hill-Drzewi,Melissa;Farmer,Bennett;Li,Xiang;Collins,Brandon;Li,JohnXiang;Heim-Riether,Alexander;Proudfoot,John;Zhang,Qiang;Goldberg,Daniel;Zuvela-Jelaska,Ljiljana;Zaher,Hani;Li,Jun;Farrow,NeilA.[JournalofMedicinalChemistry,2011,vol.54,#23,p.8174-8187]

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Tags:1222174-93-7 Molecular Formula|1222174-93-7 MDL|1222174-93-7 SMILES|1222174-93-7 5-Bromo-1-methyl-1h-pyrazole-3-carboxylic acid