Name: Name:3-Isobutyl-1-methyl-1h-pyrazole-5-carboxylic acid
Brand: AABLOCKS
SKU: AA005RSR
Rating: 90 (10 reviews)

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

Form: Solid

MP: 146-148°C

Storage: Keep in dry area;Room Temperature;

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

1558040-98-4

769132-77-6

1558041-00-1

[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]

36983-32-1

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]

108-10-1

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]

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]

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