chempirical

3-Bromo-1H-pyrazole

C3H3BrN2CAS 14521-80-3146.97 g/mol

Open in Covalent MOL file
NHNBr
Aryl halide

Properties

Molecular formula
C3H3BrN2
Molar mass
146.97 g/mol
Exact mass
145.9480 Da
logP
1.17Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
14521-80-3
SMILES
C1=C(NN=C1)Br
InChIKey
XHZWFUVEKDDQPF-UHFFFAOYSA-N
InChI
InChI=1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)

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Work with 3-Bromo-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-Pyridazinamine5469-70-533 % similar

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

Same formula

2-Bromo-1H-imidazole16681-56-4 4-Bromopyrazole2075-45-8 4-Bromoimidazole2302-25-2

Elsewhere

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