3-Amino-4-bromopyrazole

C₃H₄BrN₃CAS 16461-94-2161.99 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₃H₄BrN₃
Molar mass: 161.99 g/mol
Exact mass: 160.9589 Da
logP: 0.75Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed85.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 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

16461-94-2

SMILES

C1=NNC(=C1Br)N

InChIKey

OELYMZVJDKSMOJ-UHFFFAOYSA-N

InChI

InChI=1S/C3H4BrN3/c4-2-1-6-7-3(2)5/h1H,(H3,5,6,7)

Weigh it out

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

Work with 3-Amino-4-bromopyrazole

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-Isopropyl-1H-pyrazol-3-amine151521-49-243 % similar 4-Bromo-1H-pyrazole-3-carbonitrile288246-16-243 % similar 4,5-Dibromopyridazin-3-one5788-58-943 % similar 4-Phenyl-1H-pyrazol-5-amine57999-06-142 % similar 4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-339 % similar 4-Bromo (1H)indazole186407-74-939 % similar 4-Amino-3,5-dibromopyridine84539-34-437 % similar 4-Amino-3-bromopyridine13534-98-037 % similar

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

Same formula

3-Bromo-1-methyl-1,2,4-triazole56616-91-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook