chempirical

5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C9H2F6N4CAS 175276-40-1280.13 g/mol

Open in Covalent MOL file
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Alkyl halideNitrile

Properties

Molecular formula
C9H2F6N4
Molar mass
280.13 g/mol
Exact mass
280.0184 Da
logP
2.64Crippen estimate
Polar surface area
54.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
175276-40-1
SMILES
C1=C(N2C(=C(C=N2)C#N)N=C1C(F)(F)F)C(F)(F)F
InChIKey
WVNWOBVYCHLPGW-UHFFFAOYSA-N
InChI
InChI=1S/C9H2F6N4/c10-8(11,12)5-1-6(9(13,14)15)19-7(18-5)4(2-16)3-17-19/h1,3H

Weigh it out

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Names and synonyms

1 names
  • 5,7-Bis(trifluoromethyl)-3-cyanopyrazolo[1,5-A]pyrimidine

Work with 5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

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

5,7-Bis(trifluoromethyl)-3-cyano-2-(methylthio)pyrazolo[1,5-A]pyrimidine174842-48-953 % similar 2-Chloro-6-(trifluoromethyl)isonicotinonitrile1196155-38-039 % similar Phtpp805239-56-939 % similar 5-Cyano-2-(trifluoromethyl)pyridine216431-85-536 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-635 % similar 3,5-Bis(trifluoromethyl)-1-phenylpyrazole140647-19-434 % similar 2,4-Bis(trifluoromethyl)benzonitrile177952-38-433 % similar 2,5-Bis(trifluoromethyl)benzonitrile51012-27-233 % similar

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

Elsewhere

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