chempirical

1-Methyl-3-(trifluoromethyl)-1H-pyrazole

C5H5F3N2CAS 154471-65-5150.10 g/mol

Open in Covalent MOL file
NNFFF
Alkyl halide

Properties

Molecular formula
C5H5F3N2
Molar mass
150.10 g/mol
Exact mass
150.0405 Da
logP
1.44Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
154471-65-5
SMILES
CN1C=CC(=N1)C(F)(F)F
InChIKey
MQSLINQSJFALSP-UHFFFAOYSA-N
InChI
InChI=1S/C5H5F3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3

Weigh it out

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

Work with 1-Methyl-3-(trifluoromethyl)-1H-pyrazole

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

1H-Pyrazole,3-bromo-1-methyl-(9ci)151049-87-545 % similar 1-Methyl-1H-pyrazol-3-amine1904-31-043 % similar 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole497832-99-240 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-538 % similar 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1020174-04-238 % similar 3,5-Bis(trifluoromethyl)-1-phenylpyrazole140647-19-438 % similar 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-036 % similar 2-Methyl-6-(trifluoromethyl)-3-pyridinamine383907-17-336 % similar

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

Same formula

3-Methyl-5-(trifluoromethyl)pyrazole10010-93-2

Elsewhere

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