chempirical

4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole

C10H8BrFN2CAS 863605-34-9255.09 g/mol

Open in Covalent MOL file
NNFBr
Aryl halide

Properties

Molecular formula
C10H8BrFN2
Molar mass
255.09 g/mol
Exact mass
253.9855 Da
logP
2.99Crippen 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
863605-34-9
SMILES
CN1C=C(C(=N1)C2=CC=C(C=C2)F)Br
InChIKey
FKDDFQSOXYSZPZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8BrFN2/c1-14-6-9(11)10(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3

Weigh it out

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Work with 4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-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

4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole497832-99-244 % similar 4-Bromo-2-methyl-2H-indazole590417-93-940 % similar 7-Bromo-2-methyl-2H-indazole701910-14-740 % similar 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid84547-86-437 % similar 4-Bromo-4′-fluoro-1,1′-biphenyl398-21-037 % similar 4,4′-Difluorobiphenyl398-23-235 % similar 2-Bromo-4-fluorotoluene1422-53-333 % similar 1,2-Dibromo-4-fluorobenzene2369-37-133 % similar

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

Elsewhere

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