chempirical

1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole

C12H6F6N2OCAS 134947-25-4308.18 g/mol

Open in Covalent MOL file
ONNFFFFFF
Alkyl halide

Properties

Molecular formula
C12H6F6N2O
Molar mass
308.18 g/mol
Exact mass
308.0384 Da
logP
3.61Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
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
134947-25-4
SMILES
C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F
InChIKey
UESSAXBXORIGDD-UHFFFAOYSA-N
InChI
InChI=1S/C12H6F6N2O/c13-11(14,15)8-6-9(12(16,17)18)20(19-8)10(21)7-4-2-1-3-5-7/h1-6H

Weigh it out

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

Work with 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole

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

3,5-Bis(trifluoromethyl)-1-phenylpyrazole140647-19-451 % similar 1-Acetyl-5(3)-phenyl-3(5)-(trifluoromethyl)pyrazole198348-94-646 % similar [3,5-Bis(trifluoromethyl)phenyl]phenylmethanone21221-93-239 % similar 3-(Trifluoromethyl)benzophenone728-81-438 % similar 4′-Trifluoromethylbenzophenone728-86-937 % similar Phtpp805239-56-937 % similar 1H-Imidazol-1-ylphenylmethanone10364-94-036 % similar Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-136 % similar

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

Elsewhere

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