chempirical

3,5-Bis(trifluoromethyl)-1-phenylpyrazole

C11H6F6N2CAS 140647-19-4280.17 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C11H6F6N2
Molar mass
280.17 g/mol
Exact mass
280.0435 Da
logP
3.91Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
140647-19-4
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F
InChIKey
IYNLHYNHSRWJHI-UHFFFAOYSA-N
InChI
InChI=1S/C11H6F6N2/c12-10(13,14)8-6-9(11(15,16)17)19(18-8)7-4-2-1-3-5-7/h1-6H

Weigh it out

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Work with 3,5-Bis(trifluoromethyl)-1-phenylpyrazole

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

1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole134947-25-451 % similar 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine126208-61-541 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-439 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-538 % similar 1-Methyl-3-(trifluoromethyl)-1H-pyrazole154471-65-538 % similar 5-Amino-3-methyl-1-phenylpyrazole1131-18-638 % similar 2-(Trifluoromethyl)pyridine368-48-937 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-536 % similar

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

Elsewhere

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