1397683-79-2,MFCD24645956
Catalog No.:AA001BLI

1397683-79-2 | 1H-Pyrazole-3,5-dicarboxamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$22.00   $16.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001BLI
Chemical Name:
1H-Pyrazole-3,5-dicarboxamide
CAS Number:
1397683-79-2
Molecular Formula:
C5H6N4O2
Molecular Weight:
154.1267
MDL Number:
MFCD24645956
SMILES:
NC(=O)c1[nH]nc(c1)C(=O)N
Properties
Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-1.4  

Upstream Synthesis Route

[1]Patent:WO2012/117027,2012,A1,.Locationinpatent:Page/Pagecolumn47

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,#46,p.16720-16731

Downstream Synthesis Route

[1]Patent:WO2012/117027,2012,A1.Locationinpatent:Page/Pagecolumn47

[1]Patent:WO2012/117027,2012,A1.Locationinpatent:Page/Pagecolumn47

[2]JournaloftheAmericanChemicalSociety,2017,vol.139,p.16720-16731

[3]JournaloftheAmericanChemicalSociety,2020,vol.142,p.6717-6728

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,p.16720-16731

1397683-79-2   
bis(3,5-aminomethyl)pyrazole 

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,p.16720-16731

1397683-79-2   
C39H56N6 

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,p.16720-16731

Literature
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SDS
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Tags:1397683-79-2 Molecular Formula|1397683-79-2 MDL|1397683-79-2 SMILES|1397683-79-2 1H-Pyrazole-3,5-dicarboxamide
Catalog No.: AA001BLI
1397683-79-2,MFCD24645956
1397683-79-2 | 1H-Pyrazole-3,5-dicarboxamide
Pack Size: 250mg
Purity: 95%
in stock
$22.00 $16.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001BLI
Chemical Name: 1H-Pyrazole-3,5-dicarboxamide
CAS Number: 1397683-79-2
Molecular Formula: C5H6N4O2
Molecular Weight: 154.1267
MDL Number: MFCD24645956
SMILES: NC(=O)c1[nH]nc(c1)C(=O)N
Properties
Complexity: 193  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -1.4  
Upstream Synthesis Route
37687-24-4    1397683-79-2 

[1]Patent:WO2012/117027,2012,A1,.Locationinpatent:Page/Pagecolumn47

4077-76-3    1397683-79-2 

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,#46,p.16720-16731

Downstream Synthesis Route
37687-24-4    1397683-79-2 

[1]Patent:WO2012/117027,2012,A1.Locationinpatent:Page/Pagecolumn47

1397683-79-2    847573-68-6 

[1]Patent:WO2012/117027,2012,A1.Locationinpatent:Page/Pagecolumn47

[2]JournaloftheAmericanChemicalSociety,2017,vol.139,p.16720-16731

[3]JournaloftheAmericanChemicalSociety,2020,vol.142,p.6717-6728

4077-76-3    1397683-79-2 

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,p.16720-16731

1397683-79-2   
bis(3,5-aminomethyl)pyrazole 

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,p.16720-16731

1397683-79-2   
C39H56N6 

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,p.16720-16731

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