chempirical

4-Bromo-1,3,5-trimethylpyrazole

C6H9BrN2CAS 15801-69-1189.06 g/mol

Open in Covalent MOL file
NNBr
Aryl halide

Properties

Molecular formula
C6H9BrN2
Molar mass
189.06 g/mol
Exact mass
187.9949 Da
logP
1.80Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
15801-69-1
SMILES
CC1=C(C(=NN1C)C)Br
InChIKey
UNTQXOJGXGRHMG-UHFFFAOYSA-N
InChI
InChI=1S/C6H9BrN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3

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Names and synonyms

1 names
  • 4-Bromo-1,3,5-trimethyl-1H-pyrazole

Work with 4-Bromo-1,3,5-trimethylpyrazole

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

1,3,5-Trimethyl-1H-pyrazol-4-amine28466-21-954 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde2644-93-148 % similar 1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride59340-27-145 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-744 % similar 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole844891-04-942 % similar 2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide175137-56-140 % similar 5-Bromo-4,6-dimethylpyrimidine157335-97-236 % similar 5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-734 % similar

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

Elsewhere

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