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

C₉H₂F₆N₄CAS 175276-40-1280.13 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₉H₂F₆N₄
Molar mass: 280.13 g/mol
Exact mass: 280.0184 Da
logP: 2.64Crippen estimate
Polar surface area: 54.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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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