3-(2,3-Difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C₁₆H₁₂F₅N₃OCAS 2137047-43-7357.28 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₁₆H₁₂F₅N₃O
Molar mass: 357.28 g/mol
Exact mass: 357.0901 Da
logP: 4.32Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

2137047-43-7

SMILES

CC1=NC2=C(C(=NN2C(=C1)C(F)(F)F)C)C3=C(C(=C(C=C3)OC)F)F

InChIKey

NYBZCKAQIIPSDS-UHFFFAOYSA-N

InChI

InChI=1S/C16H12F5N3O/c1-7-6-11(16(19,20)21)24-15(22-7)12(8(2)23-24)9-4-5-10(25-3)14(18)13(9)17/h4-6H,1-3H3

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Names and synonyms

1 names

Vu6005649

Work with 3-(2,3-Difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(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

2,3,4-Trifluoroanisole203245-16-331 % similar Phtpp805239-56-931 % similar 2,3-Difluoro-4-methoxyphenol261763-29-530 % similar

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

Elsewhere

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