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Home Other Building Blocks 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one

1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one

CAS No.:
1481-02-3
Catalog Number:
AG001FFT
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$63
- +
10g
97%
In Stock USA
United States
$94
- +
25g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG001FFT
Chemical Name:
1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one
CAS Number:
1481-02-3
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD00051654
IUPAC Name:
2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2H2,1H3
InChI Key:
SYHYFYSGUQRNRS-UHFFFAOYSA-N
SMILES:
CN1N=C(CC1=O)C(F)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.103g/mol
Monoisotopic Mass:
166.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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