chempirical

5,7-Bis(trifluoromethyl)-3-cyano-2-(methylthio)pyrazolo[1,5-A]pyrimidine

C10H4F6N4SCAS 174842-48-9326.22 g/mol

Open in Covalent MOL file
SNNNNFFFFFF
Alkyl halideNitrileSulfide

Properties

Molecular formula
C10H4F6N4S
Molar mass
326.22 g/mol
Exact mass
326.0061 Da
logP
3.36Crippen estimate
Polar surface area
54.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
174842-48-9
SMILES
CSC1=NN2C(=CC(=NC2=C1C#N)C(F)(F)F)C(F)(F)F
InChIKey
VCKIBRTVNGRWOF-UHFFFAOYSA-N
InChI
InChI=1S/C10H4F6N4S/c1-21-8-4(3-17)7-18-5(9(11,12)13)2-6(10(14,15)16)20(7)19-8/h2H,1H3

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

Work with 5,7-Bis(trifluoromethyl)-3-cyano-2-(methylthio)pyrazolo[1,5-A]pyrimidine

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-Chloro-6-(trifluoromethyl)isonicotinonitrile1196155-38-035 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-432 % similar

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

Elsewhere

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