Name: Name:(1,3,5-Trimethyl-1h-pyrazol-4-yl)acetic acid
Brand: AABLOCKS
SKU: AA0066WJ
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0066WJ

Chemical Name: (1,3,5-Trimethyl-1h-pyrazol-4-yl)acetic acid

CAS Number: 70598-03-7

Molecular Formula: C8H12N2O2

Molecular Weight: 168.1931

MDL Number: MFCD08444355

SMILES: OC(=O)Cc1c(C)nn(c1C)C

Properties

Storage: Keep in dry area;2-8℃;

Complexity: 184

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 12

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.5

Downstream Synthesis Route

70598-01-5

70598-03-7

[1]Patent:WO2013/83991,2013,A1.Locationinpatent:Page/Pagecolumn117

[2]JournalofMedicinalChemistry,2014,vol.57,p.2773-2788

51285-05-3

70598-03-7

C13H16N6O2

[1]Tolmachev,Andrey;Bogolubsky,AndreyV.;Pipko,SergeyE.;Grishchenko,AlexanderV.;Ushakov,DmytroV.;Zhemera,AntonV.;Viniychuk,OleksandrO.;Konovets,AnzhelikaI.;Zaporozhets,OlgaA.;Mykhailiuk,PavelK.;Moroz,YuriiS.[ACSCombinatorialScience,2016,vol.18,#10,p.616-624]

70598-03-7 | (1,3,5-Trimethyl-1h-pyrazol-4-yl)acetic acid