Home Carboxys 6-Methyl-1,4,5,6-tetrahydrocyclopentapyrazole-3-carboxylic acid

6-Methyl-1,4,5,6-tetrahydrocyclopentapyrazole-3-carboxylic acid

CAS No.:
856256-49-0
Catalog Number:
AG00G840
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$126
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Product Description
Catalog Number:
AG00G840
Chemical Name:
6-Methyl-1,4,5,6-tetrahydrocyclopentapyrazole-3-carboxylic acid
CAS Number:
856256-49-0
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD09870062
IUPAC Name:
6-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-4-2-3-5-6(4)9-10-7(5)8(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChI Key:
NFQIURPKSWTDGP-UHFFFAOYSA-N
SMILES:
CC1CCc2c1[nH]nc2C(=O)O
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydro-cyclopentapyrazole (MK-0354): a partial agonist of the nicotinic acid receptor, G-protein coupled receptor 109a, with antilipolytic but no vasodilatory activity in mice. Journal of medicinal chemistry 20080828
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties