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

C₄H₅BrN₂CAS 57097-81-1161.00 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4-Bromo-6-methyl-2H-pyridazin-3-one954240-46-136 % similar 3-Methyl-1H-pyrazole-5-carbohydrazide40535-14-636 % 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

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