chempirical

3-Pyrazolidinone hydrochloride

C3H7ClN2OCAS 1752-88-1122.55 g/mol

Open in Covalent MOL file
NHHNOHCl
AmideLactamSecondary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

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

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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 3-Pyrrolidinone, hydrochloride (1:1)3760-52-936 % similar Hexahydropyridazine dihydrochloride124072-89-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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