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Home Other Building Blocks 1-Phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one

1-Phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one

CAS No.:
321-07-3
Catalog Number:
AG003EM5
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$113
- +
25g
95%
In Stock USA
United States
$445
- +
Product Description
Catalog Number:
AG003EM5
Chemical Name:
1-Phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one
CAS Number:
321-07-3
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
MDL Number:
MFCD00051655
IUPAC Name:
2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
GLGRRRKQSFURGD-UHFFFAOYSA-N
SMILES:
FC(C1=NN(C(=O)C1)c1ccccc1)(F)F
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.174g/mol
Monoisotopic Mass:
228.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
New series of antiprion compounds: pyrazolone derivatives have the potent activity of inhibiting protease-resistant prion protein accumulation. Journal of medicinal chemistry 20071018
Hydroxyl radical scavenging by edaravone derivatives: Efficient scavenging by 3-methyl-1-(pyridin-2-yl)-5-pyrazolone with an intramolecular base. Bioorganic & medicinal chemistry letters 20061201
Properties