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Home Other Building Blocks 5-Methyl-3-(trifluoromethyl)-1h-pyrazole

5-Methyl-3-(trifluoromethyl)-1h-pyrazole

CAS No.:
10010-93-2
Catalog Number:
AG0000XN
Molecular Formula:
C5H5F3N2
Molecular Weight:
150.1018
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$15
- +
5g
97%
In Stock USA
United States
$35
- +
25g
97%
In Stock USA
United States
$150
- +
100g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG0000XN
Chemical Name:
5-Methyl-3-(trifluoromethyl)-1h-pyrazole
CAS Number:
10010-93-2
Molecular Formula:
C5H5F3N2
Molecular Weight:
150.1018
MDL Number:
MFCD00829309
IUPAC Name:
5-methyl-3-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)
InChI Key:
DLCHCAYDSKIFIN-UHFFFAOYSA-N
SMILES:
FC(c1[nH]nc(c1)C)(F)F
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.104g/mol
Monoisotopic Mass:
150.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Structural requirements for the inhibition of calcium mobilization and mast cell activation by the pyrazole derivative BTP2. The international journal of biochemistry & cell biology 20110801
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Neutral and cationic main group element cages of germanium(II) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations. Dalton transactions (Cambridge, England : 2003) 20090721
Properties