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84547-83-1,MFCD00463989
Catalog No.:AA008HKD

84547-83-1 | 4-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$139.00   $97.00
- +
1g
95%
in stock  
$245.00   $172.00
- +
5g
95%
in stock  
$948.00   $664.00
- +
10g
95%
in stock  
$1,504.00   $1,053.00
- +
25g
95%
in stock  
$2,934.00 $2,054.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008HKD
Chemical Name:
4-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
84547-83-1
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD00463989
SMILES:
Cn1ncc(c1C(=O)O)Cl
Properties
Computed Properties
 
Complexity:
153  
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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Downstream Synthesis Route

[1]JournalofgeneralchemistryoftheUSSR,1982,vol.52,p.2291-2296    ZhurnalObshcheiKhimii,1982,vol.52,p.2592-2598

[1]CurrentPatentAssignee:ABBVIEINC-US2007/32478,2007,A1Locationinpatent:Page/Pagecolumn86-87

[2]Wang,Ying;Kou,Song;Huo,Jingqian;Sun,Susu;Wang,Yanen;Yang,Hongwei;Zhao,Shiyong;Tang,Liangfu;Han,Lijun;Zhang,Jinlin;Chen,Lai[JournalofAgriculturalandFoodChemistry,2022,vol.70,#30,p.9327-9336]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Quotation Request
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SDS
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Tags:84547-83-1 Molecular Formula|84547-83-1 MDL|84547-83-1 SMILES|84547-83-1 4-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid
Catalog No.: AA008HKD
84547-83-1,MFCD00463989
84547-83-1 | 4-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid
Pack Size： 250mg
Purity： 95%
in stock
$139.00 $97.00
Pack Size： 1g
Purity： 95%
in stock
$245.00 $172.00
Pack Size： 5g
Purity： 95%
in stock
$948.00 $664.00
Pack Size： 10g
Purity： 95%
in stock
$1,504.00 $1,053.00
Pack Size： 25g
Purity： 95%
in stock
$2,934.00 $2,054.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA008HKD
Chemical Name: 4-Chloro-1-methyl-1h-pyrazole-5-carboxylic acid
CAS Number: 84547-83-1
Molecular Formula: C5H5ClN2O2
Molecular Weight: 160.5584
MDL Number: MFCD00463989
SMILES: Cn1ncc(c1C(=O)O)Cl
Properties
Complexity: 153  
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: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Downstream Synthesis Route
694-31-5    84547-83-1 

[1]JournalofgeneralchemistryoftheUSSR,1982,vol.52,p.2291-2296    ZhurnalObshcheiKhimii,1982,vol.52,p.2592-2598

84547-83-1    157142-50-2 

[1]CurrentPatentAssignee:ABBVIEINC-US2007/32478,2007,A1Locationinpatent:Page/Pagecolumn86-87

[2]Wang,Ying;Kou,Song;Huo,Jingqian;Sun,Susu;Wang,Yanen;Yang,Hongwei;Zhao,Shiyong;Tang,Liangfu;Han,Lijun;Zhang,Jinlin;Chen,Lai[JournalofAgriculturalandFoodChemistry,2022,vol.70,#30,p.9327-9336]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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