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10010-93-2 | 1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CAS No: 10010-93-2 Catalog No: AG0000XN MDL No:MFCD00829309
Product Description
Catalog Number:
AG0000XN
Chemical Name:
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
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 |
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