Home Carboxys 1-Methyl-1H-pyrazole-4-carboxylic acid

1-Methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
5952-92-1
Catalog Number:
AG003EHA
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$63
- +
100g
97%
In Stock USA
United States
$238
- +
500g
97%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG003EHA
Chemical Name:
1-Methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
5952-92-1
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00159641
IUPAC Name:
1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9)
InChI Key:
UPPPWUOZCSMDTR-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C(=O)O
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties