3-Iodo-1H-pyrazole

C₃H₃IN₂CAS 4522-35-4193.98 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃H₃IN₂
Molar mass: 193.98 g/mol
Exact mass: 193.9341 Da
logP: 1.01Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4522-35-4

SMILES

C1=C(NN=C1)I

InChIKey

RUKDVLFJSMVBLV-UHFFFAOYSA-N

InChI

InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)

Weigh it out

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

Work with 3-Iodo-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-Chloro-1H-pyrazole14339-33-442 % similar 3-Bromo-1H-pyrazole14521-80-342 % similar 4-Methylpyridazin-3-ol33471-40-839 % similar 3-Cyclopropyl-1H-pyrazole100114-57-637 % similar 3-(Trifluoromethyl)pyrazole20154-03-437 % similar (1H-Pyrazol-3-yl)methanol23585-49-137 % similar 1H-Pyrazole-5-boronic acid376584-63-337 % similar 1H-Pyrazole-3-carbaldehyde3920-50-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodo-1H-imidazole3034-62-6 4-Iodopyrazole3469-69-0 4-Iodo-1H-imidazole71759-89-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook