3-Pyrazolidinone hydrochloride

C₃H₇ClN₂OCAS 1752-88-1122.55 g/mol

Open in Covalent MOL file

Amide Lactam Secondary amine

Properties

Molecular formula: C₃H₇ClN₂O
Molar mass: 122.55 g/mol
Exact mass: 122.0247 Da
logP: -0.57Crippen estimate
Polar surface area: 41.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

1752-88-1

SMILES

C1CNNC1=O.Cl

InChIKey

HAYWTXQRYXYRAF-UHFFFAOYSA-N

InChI

InChI=1S/C3H6N2O.ClH/c6-3-1-2-4-5-3;/h4H,1-2H2,(H,5,6);1H

Weigh it out

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

Names and synonyms

1 names

Pyrazolidin-3-one hydrochloride

Work with 3-Pyrazolidinone hydrochloride

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

4-Piperidone hydrochloride41979-39-938 % similar 1,4-Diazepan-5-one34376-54-037 % similar Pyrrolidin-3-one hydrochloride3760-52-936 % similar 4-Piperidone hydrochloride hydrate320589-77-334 % similar H-Gly-nhme hcl49755-94-434 % similar Azepan-4-one hydrochloride50492-22-333 % similar Piperidin-3-one hydrochloride61644-00-633 % similar 3-Aminopiperidine-2,6-dione hydrochloride24666-56-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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