chempirical

1H-Pyrazole,3-bromo-1-methyl-(9ci)

C4H5BrN2CAS 151049-87-5161.00 g/mol

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NNBr
Aryl halide

Properties

Molecular formula
C4H5BrN2
Molar mass
161.00 g/mol
Exact mass
159.9636 Da
logP
1.18Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
151049-87-5
SMILES
CN1C=CC(=N1)Br
InChIKey
ZGEVJEQMVRIEPX-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrN2/c1-7-3-2-4(5)6-7/h2-3H,1H3

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Names and synonyms

1 names
  • 3-Bromo-1-methyl-1H-pyrazole

Work with 1H-Pyrazole,3-bromo-1-methyl-(9ci)

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

6-Bromoimidazo[1,2-B]pyridazine1159977-65-739 % similar 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1020174-04-238 % similar Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-138 % similar 5-Bromo-2-methyl-2H-indazole465529-56-035 % similar 6-Bromo-2-methyl-2H-indazole590417-95-135 % similar 3-Bromo-1-(oxan-2-yl)-1H-pyrazole1044270-96-335 % similar 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole497832-99-232 % similar 2,6-Dibromopyridine626-05-132 % 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-3-methyl-1H-pyrazole13808-64-5 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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