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LUF 6283

CAT: 0013-GTR19201166-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201166-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This small molecule is a selective partial agonist of the hydroxycarboxylic acid receptor 2 (HCA2/GPR109A) . It is a valuable research tool for investigating the receptor's role in lipid metabolism, inflammation, and vascular biology in both cellular and animal models.
CAS Number
92933-48-7
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.41% (May vary between batches)
Smiles
O=C (O) C1=NNC (=C1) CCCC
Molecular Formula
C8H12N2O2
Molecular Weight
168.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Butyl-1H-pyrazole-3-carboxylic acid
CAS Number92933-48-7
PubChem CID6485181
IUPAC Name5-butyl-1H-pyrazole-3-carboxylic acid
Molecular FormulaC8H12N2O2
Molecular Weight168.19
XLogP1.8
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity161
SMILES
CCCCC1=CC(=NN1)C(=O)O
InChI
InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKey
ZJTXSGLJNBAMJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Butyl-1H-pyrazole-3-carboxylic acid
CAS: 92933-48-7
CID: 6485181
Formula: C8H12N2O2
MW: 168.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.19
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass168.089877630
Monoisotopic Mass168.089877630
Topological Polar Surface Area66 Ų
Heavy Atom Count12
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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