5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one

C9H18N2O2 — CID 105442159

IUPAC5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one
SMILESCCC1CC(=O)N(CCCO)N1C
InChIInChI=1S/C9H18N2O2/c1-3-8-7-9(13)11(10(8)2)5-4-6-12/h8,12H,3-7H2,1-2H3
InChIKeyINIYWXYSPNNLGG-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.23
Rot. Bonds4

About 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one

5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one (PubChem CID 105442159) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one.

Molecular Properties

Compound Name5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one
PubChem CID105442159
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one
SMILESCCC1CC(=O)N(CCCO)N1C
InChIInChI=1S/C9H18N2O2/c1-3-8-7-9(13)11(10(8)2)5-4-6-12/h8,12H,3-7H2,1-2H3
InChIKeyINIYWXYSPNNLGG-UHFFFAOYSA-N
XLogP0.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one
CID 105452958
2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
CID 105430948
5-ethyl-2-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
CID 105494697
2-(3-hydroxypropyl)-5-methyl-1-phenylpyrazolidin-3-one
CID 105494695
5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
CID 105441177
1-(2-hydroxyethyl)-4-methylazetidin-2-one
CID 11182619
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
(4R)-4-ethyl-1-(2-phenylethyl)azetidin-2-one
CID 135071116
3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 60692406
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
CID 105467991

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one?
The IUPAC name of 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one (CID 105442159) is 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one.
What is the SMILES notation for 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one?
The canonical SMILES for 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one is CCC1CC(=O)N(CCCO)N1C.
What is the InChIKey of 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one?
The InChIKey is INIYWXYSPNNLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8-7-9(13)11(10(8)2)5-4-6-12/h8,12H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one?
5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one has a molecular weight of 186.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one is sourced from PubChem (CID 105442159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).