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LUF 6283

CAT: 0607-B5751-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5751-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
partial agonist of hydroxycarboxylic acid receptor 2 (HCA2)
CAS Number
92933-48-7
Product Name Alternative
5-butyl-1H-pyrazole-3-carboxylic acid
Field of Research
GPCR G protein Hydroxycarboxylic Acid Receptors
Form
White solid
Solubility
<16.82mg/ml in DMSO; <16.82mg/ml in ethanol
Smiles
CCCCC1=CC(C(O)=O)=NN1
Molecular Formula
C8H12N2O2
Molecular Weight
168.19
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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