3-Bromo-1H-pyrazol-5-amine

C₃H₄BrN₃CAS 950739-21-6161.99 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

950739-21-6

SMILES

C1=C(NN=C1N)Br

InChIKey

VGBYIGUWAWHQOT-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-Bromo-1H-pyrazol-5-amine

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-Cyclopropyl-1H-pyrazol-5-amine175137-46-943 % similar 5-Amino-3-ethyl-1H-pyrazole1904-24-143 % similar 3-Amino-5-phenylpyrazole827-41-842 % similar 5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-841 % similar 3-Amino-5-cyclobutyl-1H-pyrazole326827-21-841 % similar 3-(4-Chlorophenyl)-1H-pyrazol-5-amine78583-81-038 % similar 3-(2-Furyl)-1H-pyrazol-5-amine96799-02-937 % similar 5-Thien-2-yl-1H-pyrazol-3-amine96799-03-037 % similar

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

Same formula

3-Amino-4-bromopyrazole16461-94-2 3-Bromo-1-methyl-1,2,4-triazole56616-91-2

Elsewhere

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