7-Chloro-2-(1,1-dimethylethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C11H11ClF3N3CAS 175203-38-0277.68 g/mol

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NFFFClNN
Alkyl halideAryl halide

Properties

Molecular formula
C11H11ClF3N3
Molar mass
277.68 g/mol
Exact mass
277.0594 Da
logP
3.70Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
175203-38-0
SMILES
CC(C)(C)c1cc2nc(C(F)(F)F)cc(Cl)n2n1
InChIKey
VYAQQNNHHQAUEL-UHFFFAOYSA-N
InChI
InChI=1S/C11H11ClF3N3/c1-10(2,3)6-5-9-16-7(11(13,14)15)4-8(12)18(9)17-6/h4-5H,1-3H3

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Names and synonyms

1 names
  • Pyrazolo[1,5-a]pyrimidine, 7-chloro-2-(1,1-dimethylethyl)-5-(trifluoromethyl)-

Work with 7-Chloro-2-(1,1-dimethylethyl)-5-(trifluoromethyl)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

5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole150433-22-037 % similar 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine238742-83-136 % similar 2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-636 % similar 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine16097-63-535 % similar 2-Chloro-4-iodo-6-(trifluoromethyl)pyridine205444-22-033 % similar 2-Chloro-6-(trifluoromethyl)pyridin-4-amine34486-22-133 % similar 4-[6-(1,1-Dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]benzenamine152828-25-632 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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