4-Bromopyrazole

C3H3BrN2CAS 2075-45-8146.97 g/mol

Open in Covalent MOL file
BrNNH
Aryl halide

Properties

Molecular formula
C3H3BrN2
Molar mass
146.97 g/mol
Exact mass
145.9480 Da
Melting point
94–96 °C
logP
1.17Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2075-45-8
SMILES
Brc1cn[nH]c1
InChIKey
WVGCPEDBFHEHEZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 1H-Pyrazole, 4-bromo-
  • Pyrazole, 4-bromo-
  • 4-Bromo-1H-pyrazole
  • NSC 522023

Work with 4-Bromopyrazole

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

1,4-Di(1H-pyrazol-4-yl)benzene1036248-62-042 % similar 1,3,5-Tris(pyrazol-4-yl)benzene1325728-09-342 % similar 4-Chloropyrazole15878-00-942 % similar 1H-Pyrazol-4-amine28466-26-442 % similar 4-Iodopyrazole3469-69-042 % similar 4-Fluoro-1H-pyrazole35277-02-242 % similar 4-Methylpyrazole7554-65-642 % similar 2-Amino-5-bromopyrimidine7752-82-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-1H-pyrazole14521-80-3 2-Bromo-1H-imidazole16681-56-4 4-Bromoimidazole2302-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook