chempirical

2,4-Dihydro-2-methyl-5-(trifluoromethyl)-3H-pyrazol-3-one

C5H5F3N2OCAS 1481-02-3166.10 g/mol

Open in Covalent MOL file
NNFFFO
Alkyl halideAmideHydrazoneLactam

Properties

Molecular formula
C5H5F3N2O
Molar mass
166.10 g/mol
Exact mass
166.0354 Da
logP
0.77Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1481-02-3
SMILES
CN1N=C(C(F)(F)F)CC1=O
InChIKey
SYHYFYSGUQRNRS-UHFFFAOYSA-N
InChI
InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-(trifluoromethyl)-
  • 2-Pyrazolin-5-one, 1-methyl-3-(trifluoromethyl)-
  • 1-Methyl-3-trifluoromethyl-4,5-dihydropyrazole-5-one
  • 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
  • 1-Methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
  • 2-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
  • 2-Methyl-5-(trifluoromethyl)-4H-pyrazol-3-one

Work with 2,4-Dihydro-2-methyl-5-(trifluoromethyl)-3H-pyrazol-3-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dihydro-2-methyl-5-propyl-3H-pyrazol-3-one31272-04-544 % similar N-Methylbis(trifluoroacetyl)imide685-27-833 % similar Hexafluoroacetylacetone1522-22-132 % similar 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-431 % similar 1,1,1-Trifluoroacetylacetone367-57-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol119022-51-4 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol122431-37-2

Elsewhere

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