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

C₉H₈BrN₃CAS 2845-78-5238.09 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₈BrN₃
Molar mass: 238.09 g/mol
Exact mass: 236.9902 Da
logP: 2.42Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

2845-78-5

SMILES

C1=CC=C(C=C1)C2=C(C(=NN2)N)Br

InChIKey

QTNVXMOPTHGCII-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrN3/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13)

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Work with 4-Bromo-3-phenyl-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

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

Same formula

5-(4-Bromophenyl)-1H-pyrazol-3-amine78583-82-1

Elsewhere

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