chempirical

3-Bromo-5-methyl-1H-pyrazole

C4H5BrN2CAS 57097-81-1161.00 g/mol

Open in Covalent MOL file
NHNBr
Aryl halide

Properties

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

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
57097-81-1
SMILES
CC1=CC(=NN1)Br
InChIKey
SVRPUGWCOWUQOY-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrN2/c1-3-2-4(5)7-6-3/h2H,1H3,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Bromo-5-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

3,5-Dimethylpyrazole67-51-652 % similar 3-Chloro-5-methyl-1H-pyrazole15953-45-448 % similar 3-Methyl-5-(trifluoromethyl)pyrazole10010-93-243 % similar 3-Methyl-5-phenylpyrazole3347-62-442 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-941 % similar 2,6-Dibromo-4-methylpyridine73112-16-037 % similar 3-Methyl-1H-pyrazole-5-carbohydrazide40535-14-636 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-034 % 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 1H-Pyrazole,3-bromo-1-methyl-(9ci)151049-87-5 4-Bromo-1-methyl-1H-pyrazole15803-02-8 5-Bromo-2-methyl-1H-imidazole16265-11-5 2-Bromo-1-methyl-1H-imidazole16681-59-7 4-Bromo-1-methyl-1H-imidazole25676-75-9 1H-Pyrazole,5-bromo-1-methyl-(9ci)361476-01-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook