3-Bromopyrazolo(1,5-a)pyrimidine

C6H4BrN3CAS 55405-67-9198.02 g/mol

Open in Covalent MOL file
NNBrN
Aryl halide

Properties

Molecular formula
C6H4BrN3
Molar mass
198.02 g/mol
Exact mass
196.9589 Da
logP
1.49Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 41 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
55405-67-9
SMILES
C1=CN2C(=C(C=N2)Br)N=C1
InChIKey
MFJWRPLBWPDHGV-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3/c7-5-4-9-10-3-1-2-8-6(5)10/h1-4H

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Names and synonyms

1 names
  • 3-Bromo-pyrazolo[1,5-A]pyrimidine

Work with 3-Bromopyrazolo(1,5-a)pyrimidine

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

8-Bromo-[1,2,4]triazolo[1,5-A]pyridine868362-18-953 % similar 3-Bromo-pyrazolo[1,5-A]pyridine5910-12-348 % similar Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid25940-35-647 % similar 3-Bromo-5-chloropyrazolo(1,5-a)pyrimidine960613-96-147 % similar Pyrazolopyrimidine274-71-544 % similar 8-Bromo-imidazo[1,2-A]pyridine850349-02-942 % similar Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid ethyl ester115932-00-842 % similar 8-Bromo-6-chloroimidazo(1,2-b)pyridazine933190-51-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-3 7-Bromo-(1,2,4)triazolo(1,5-a)pyridine1053655-66-5 6-Bromo-[1,2,4]triazolo[4,3-a]pyridine108281-79-4 6-Bromo-1H-pyrazolo[4,3-b]pyridine1150617-54-1 6-Bromoimidazo[1,2-B]pyridazine1159977-65-7 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-7 5-Bromo-(1,2,4)triazolo(1,5-a)pyridine143329-58-2 5-Bromo-7H-pyrrolo[2,3-D]pyrimidine175791-49-8

Elsewhere

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