chempirical

4-Bromo-3,5-dimethylpyrazole

C5H7BrN2CAS 3398-16-1175.03 g/mol

Open in Covalent MOL file
NNHBr
Aryl halide

Properties

Molecular formula
C5H7BrN2
Molar mass
175.03 g/mol
Exact mass
173.9793 Da
Melting point
118 °C
logP
1.79Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
3398-16-1
SMILES
Cc1n[nH]c(C)c1Br
InChIKey
RISOHYOEPYWKOB-UHFFFAOYSA-N
InChI
InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)

Weigh it out

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Names and synonyms

6 names
  • 1H-Pyrazole, 4-bromo-3,5-dimethyl-
  • Pyrazole, 4-bromo-3,5-dimethyl-
  • 4-Bromo-3,5-dimethyl-1H-pyrazole
  • GF 12
  • 3,5-Dimethyl-4-bromopyrazole
  • NSC 50564

Work with 4-Bromo-3,5-dimethylpyrazole

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-Iodo-3,5-dimethyl-1H-pyrazole2033-45-648 % similar 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-939 % similar 3,5-Dimethyl-4-nitropyrazole14531-55-639 % similar 7-Bromo-3-methyl-1H-indazole1159511-75-735 % similar 5-Bromo-3-methyl-1H-indazole552331-16-534 % similar 4-Bromo-3,5-dimethylisoxazole10558-25-533 % similar 4-Bromo-3-methyl-1H-pyrazole13808-64-533 % similar 5-Bromo-3-methyl-1H-pyrazolo[3,4-B]pyridine885223-65-433 % similar

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

Same formula

5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook