Home Carboxys 5-(Ethoxycarbonyl)-1-methyl-1h-pyrazole-3-carboxylic acid

5-(Ethoxycarbonyl)-1-methyl-1h-pyrazole-3-carboxylic acid

CAS No.:
512809-16-4
Catalog Number:
AG00DXM2
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$212
- +
1g
1 week
United States
$489
- +
Product Description
Catalog Number:
AG00DXM2
Chemical Name:
5-(Ethoxycarbonyl)-1-methyl-1h-pyrazole-3-carboxylic acid
CAS Number:
512809-16-4
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
MDL Number:
MFCD03419336
IUPAC Name:
5-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H10N2O4/c1-3-14-8(13)6-4-5(7(11)12)9-10(6)2/h4H,3H2,1-2H3,(H,11,12)
InChI Key:
JLSQQJCFVRBJAS-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C(=O)OCC)C(=O)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties