3-(4-Bromophenyl)-1H-pyrazole

C9H7BrN2CAS 73387-46-9223.07 g/mol

Open in Covalent MOL file
NNHBr
Aryl halide

Properties

Molecular formula
C9H7BrN2
Molar mass
223.07 g/mol
Exact mass
221.9793 Da
logP
2.84Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
73387-46-9
SMILES
C1=CC(=CC=C1C2=CC=NN2)Br
InChIKey
LXDGTEBHVOKDLE-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)

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Names and synonyms

1 names
  • 3-(4-Bromophenyl)-1H-pyrazole, 97%

Work with 3-(4-Bromophenyl)-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-(4-Fluorophenyl)-1H-pyrazole154258-82-959 % similar 3-(4-Chlorophenyl)-1H-pyrazole59843-58-259 % similar 3-(4-Nitrophenyl)-1H-pyrazole20583-31-749 % similar 4-(1H-Pyrazol-5-yl)benzoic acid208511-67-549 % similar 3-(1H-Pyrazol-3-yl)pyridine45887-08-947 % similar 4-(4-Bromophenyl)pyridine39795-60-346 % similar 4,4''-Dibromo-P-terphenyl17788-94-246 % similar 4,4′-Dibromobiphenyl92-86-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Bromophenyl)imidazole10040-96-7 1-Bromoisoquinolin-3-amine13130-79-5 6-Bromo-1-isoquinolinamine215453-26-2 5-Bromo-quinolin-8-ylamine53472-18-7

Elsewhere

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