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769132-77-6,MFCD05670720
Catalog No.:AA005RSR

769132-77-6 | 3-Isobutyl-1-methyl-1h-pyrazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$13.00   $9.00
- +
1g
95%
in stock  
$23.00   $16.00
- +
5g
95%
in stock  
$94.00   $66.00
- +
25g
95%
in stock  
$467.00   $327.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005RSR
Chemical Name:
3-Isobutyl-1-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
769132-77-6
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD05670720
SMILES:
CC(Cc1cc(n(n1)C)C(=O)O)C
Properties
Properties
 
Form:
Solid  
MP:
146-148°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
194  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Encinas,Lourdes;O'Keefe,Heather;Neu,Margarete;Remuiñán,ModestoJ.;Patel,AmishM.;Guardia,Ana;Davie,ChristopherP.;Pérez-Macías,Natalia;Yang,Hongfang;Convery,MaireA.;Messer,JeffA.;Pérez-Herrán,Esther;Centrella,PaoloA.;Álvarez-Gómez,Daniel;Clark,MatthewA.;Huss,Sophie;O'Donovan,GaryK.;Ortega-Muro,Fátima;McDowell,William;Castañeda,Pablo;Arico-Muendel,ChristopherC.;Pajk,Stane;Rullás,Joaquín;Angulo-Barturen,Iñigo;Álvarez-Ruíz,Emilio;Mendoza-Losana,Alfonso;BallellPages,Lluís;Castro-Pichel,Julia;Evindar,Ghotas[JournalofMedicinalChemistry,2014,vol.57,#4,p.1276-1288]

[1]Si,Wei-Jie;Wang,Xiao-Bin;Chen,Min;Wang,Meng-Qi;Lu,Ai-Min;Yang,Chun-Long[NewJournalofChemistry,2019,vol.43,#7,p.3000-3010]

[1]Si,Wei-Jie;Wang,Xiao-Bin;Chen,Min;Wang,Meng-Qi;Lu,Ai-Min;Yang,Chun-Long[NewJournalofChemistry,2019,vol.43,#7,p.3000-3010]

ethyl3-isobutyl-1H-pyrazole-5-carboxylate 
  769132-77-6 

[1]Si,Wei-Jie;Wang,Xiao-Bin;Chen,Min;Wang,Meng-Qi;Lu,Ai-Min;Yang,Chun-Long[NewJournalofChemistry,2019,vol.43,#7,p.3000-3010]

ethyl1-methyl-3-isobutyl-1H-pyrazole-5-carboxylate 
  769132-77-6 

[1]Si,Wei-Jie;Wang,Xiao-Bin;Chen,Min;Wang,Meng-Qi;Lu,Ai-Min;Yang,Chun-Long[NewJournalofChemistry,2019,vol.43,#7,p.3000-3010]

Literature
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SDS
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