chempirical

4-Bromo-3-methyl-1H-pyrazole

C4H5BrN2CAS 13808-64-5161.00 g/mol

Open in Covalent MOL file
NNHBr
Aryl halide

Properties

Molecular formula
C4H5BrN2
Molar mass
161.00 g/mol
Exact mass
159.9636 Da
Melting point
76.5 °C
logP
1.48Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
13808-64-5
SMILES
Cc1n[nH]cc1Br
InChIKey
IXQPRETWBGVNPJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)

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Names and synonyms

5 names
  • 1H-Pyrazole, 4-bromo-3-methyl-
  • Pyrazole, 4-bromo-3-methyl-
  • 4-Bromo-3-methylpyrazole
  • 3-Methyl-4-bromopyrazole
  • NSC 50563

Work with 4-Bromo-3-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

3,4-Dimethylpyrazole2820-37-352 % similar 3-Methyl-4-nitro-1H-pyrazole5334-39-444 % similar 4-Bromo-3-(trifluoromethyl)-1H-pyrazole19968-17-343 % similar 5-Bromo-4-methyl-1H-indazole1082041-34-642 % similar 7-Bromo-1H-indazole53857-58-239 % similar 3,4-Dimethylpyrazole phosphate202842-98-638 % similar 3-Methylpyrazole-4-boronic acid pinacol ester936250-20-337 % similar 4-Bromo-2,3-dimethylpyridine259807-91-535 % similar

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

Same formula

5-Bromo-1-methyl-1H-imidazole1003-21-0 4-Bromo-1-methyl-1H-pyrazole15803-02-8 5-Bromo-2-methyl-1H-imidazole16265-11-5 2-Bromo-1-methyl-1H-imidazole16681-59-7

Elsewhere

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