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95574-27-9,MFCD08714729
Catalog No.:AA00IJ4J

95574-27-9 | N-(1H-Indazol-5-yl)acetamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
1 week  
$246.00   $172.00
- +
250mg
97%
1 week  
$418.00   $293.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IJ4J
Chemical Name:
N-(1H-Indazol-5-yl)acetamide
CAS Number:
95574-27-9
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD08714729
SMILES:
CC(=O)Nc1ccc2c(c1)cn[nH]2
Properties
Computed Properties
 
Complexity:
207  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Tono-Oka;Tone;Marquez;etal.[BulletinoftheChemicalSocietyofJapan,1985,vol.58,#1,p.309-315]

53-84-9    95574-27-9   
5-Acetamido-2H-indazoleadeninedinucleotide 

[1]Tono-Oka;Tone;Marquez;etal.[BulletinoftheChemicalSocietyofJapan,1985,vol.58,#1,p.309-315]

[1]Tono-Oka,Shuichi;Sekikawa,Isao;Azuma,Ichiro[ChemistryLetters,1983,p.805-808]

[1]Tono-Oka;Tone;Marquez;etal.[BulletinoftheChemicalSocietyofJapan,1985,vol.58,#1,p.309-315]

[1]Locationinpatent:experimentalpartSinning,Christian;Watzer,Bernhard;Coste,Ovidiu;Nüsing,RolfM.;Ott,Ingo;Ligresti,Alessia;DiMarzo,Vincenzo;Imming,Peter[JournalofMedicinalChemistry,2008,vol.51,#24,p.7800-7805]

Literature

Title: Fragment-based and structure-guided discovery and optimization of Rho kinase inhibitors.

Journal: Journal of medicinal chemistry 20120308

Title: New analgesics synthetically derived from the paracetamol metabolite N-(4-hydroxyphenyl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide.

Journal: Journal of medicinal chemistry 20081225

Quotation Request
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SDS
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Tags:95574-27-9 Molecular Formula|95574-27-9 MDL|95574-27-9 SMILES|95574-27-9 N-(1H-Indazol-5-yl)acetamide
Catalog No.: AA00IJ4J
95574-27-9,MFCD08714729
95574-27-9 | N-(1H-Indazol-5-yl)acetamide
Pack Size： 100mg
Purity： 97%
1 week
$246.00 $172.00
Pack Size： 250mg
Purity： 97%
1 week
$418.00 $293.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IJ4J
Chemical Name: N-(1H-Indazol-5-yl)acetamide
CAS Number: 95574-27-9
Molecular Formula: C9H9N3O
Molecular Weight: 175.1873
MDL Number: MFCD08714729
SMILES: CC(=O)Nc1ccc2c(c1)cn[nH]2
Properties
Complexity: 207  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 1  
XLogP3: 1.4  
Downstream Synthesis Route
20263-65-4    95574-27-9 

[1]Tono-Oka;Tone;Marquez;etal.[BulletinoftheChemicalSocietyofJapan,1985,vol.58,#1,p.309-315]

53-84-9    95574-27-9   
5-Acetamido-2H-indazoleadeninedinucleotide 

[1]Tono-Oka;Tone;Marquez;etal.[BulletinoftheChemicalSocietyofJapan,1985,vol.58,#1,p.309-315]

865-05-4    95574-27-9    87112-60-5 

[1]Tono-Oka,Shuichi;Sekikawa,Isao;Azuma,Ichiro[ChemistryLetters,1983,p.805-808]

19335-11-6    95574-27-9 

[1]Tono-Oka;Tone;Marquez;etal.[BulletinoftheChemicalSocietyofJapan,1985,vol.58,#1,p.309-315]

19335-11-6    75-36-5    95574-27-9 

[1]Locationinpatent:experimentalpartSinning,Christian;Watzer,Bernhard;Coste,Ovidiu;Nüsing,RolfM.;Ott,Ingo;Ligresti,Alessia;DiMarzo,Vincenzo;Imming,Peter[JournalofMedicinalChemistry,2008,vol.51,#24,p.7800-7805]

Literature fold

Title: Fragment-based and structure-guided discovery and optimization of Rho kinase inhibitors.

Journal: Journal of medicinal chemistry20120308

Title: New analgesics synthetically derived from the paracetamol metabolite N-(4-hydroxyphenyl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide.

Journal: Journal of medicinal chemistry20081225

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