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Home Carboxys 7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS No.:
438218-14-5
Catalog Number:
AG00DCS1
Molecular Formula:
C9H7F2N3O2
Molecular Weight:
227.1676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG00DCS1
Chemical Name:
7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CAS Number:
438218-14-5
Molecular Formula:
C9H7F2N3O2
Molecular Weight:
227.1676
MDL Number:
MFCD02253706
IUPAC Name:
7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
InChI:
InChI=1S/C9H7F2N3O2/c1-4-2-6(7(10)11)14-8(13-4)5(3-12-14)9(15)16/h2-3,7H,1H3,(H,15,16)
InChI Key:
YYIJNWNMCIXAJD-UHFFFAOYSA-N
SMILES:
Cc1cc(C(F)F)n2c(n1)c(cn2)C(=O)O
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.171g/mol
Monoisotopic Mass:
227.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties