chempirical

5-(4-Bromophenyl)-1H-pyrazol-3-amine

C9H8BrN3CAS 78583-82-1238.09 g/mol

Open in Covalent MOL file
HNBrNHHN
Aryl halide

Properties

Molecular formula
C9H8BrN3
Molar mass
238.09 g/mol
Exact mass
236.9902 Da
logP
2.25Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
78583-82-1
SMILES
N=c1cc(-c2ccc(Br)cc2)[nH][nH]1
InChIKey
FTCWIBNIYIEHDT-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)

Weigh it out

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Names and synonyms

4 names
  • 1H-Pyrazol-3-amine, 5-(4-bromophenyl)-
  • Pyrazole, 3(or 5)-amino-5(or 3)-(p-bromophenyl)-
  • 3-(4-Bromophenyl)-1H-pyrazol-5-amine
  • 3-Amino-5-(4-bromophenyl)-1H-pyrazole

Work with 5-(4-Bromophenyl)-1H-pyrazol-3-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-Amino-5-phenylpyrazole1572-10-761 % similar 5-(4-Fluorophenyl)-1H-pyrazol-3-amine72411-52-060 % similar 5-(4-Methylphenyl)-1H-pyrazol-3-amine78597-54-360 % similar 4,4′-Dibromobiphenyl92-86-444 % similar 2-Amino-5-bromopyridine1072-97-542 % similar 4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl116941-52-739 % similar 1,4-Dibromobenzene106-37-638 % similar 4-Bromo-4′-hydroxybiphenyl29558-77-837 % similar

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

Elsewhere

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