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Home Carboxys Ethyl 7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

Ethyl 7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

CAS No.:
29274-18-8
Catalog Number:
AG002XXP
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$94
- +
5g
95%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG002XXP
Chemical Name:
Ethyl 7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Number:
29274-18-8
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
MDL Number:
MFCD00104600
IUPAC Name:
ethyl 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-10-7-3-4-11-12(7)8(6)13/h3-5,11H,2H2,1H3
InChI Key:
XLPSGPQQTUJWJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2n(c1=O)ncc2
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling. Journal of medicinal chemistry 20060420
Properties