1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one

C8H16N2O2 — CID 105435195

IUPAC1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
SMILESCCN1CCC(=O)N1CC(C)O
InChIInChI=1S/C8H16N2O2/c1-3-9-5-4-8(12)10(9)6-7(2)11/h7,11H,3-6H2,1-2H3
InChIKeyZOHNZMWEDBENMF-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.16
Rot. Bonds3

About 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one

1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one (PubChem CID 105435195) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
PubChem CID105435195
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
SMILESCCN1CCC(=O)N1CC(C)O
InChIInChI=1S/C8H16N2O2/c1-3-9-5-4-8(12)10(9)6-7(2)11/h7,11H,3-6H2,1-2H3
InChIKeyZOHNZMWEDBENMF-UHFFFAOYSA-N
XLogP-0.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
CID 105452750
2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
CID 105452768
2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one
CID 105442203
1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one
CID 105451683
1-(2-amino-2-methylpropyl)-2-(2-methylpropyl)pyrazolidin-3-one
CID 105467132
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
2-(3-aminobutyl)-1-ethyldiazinan-3-one
CID 105452412
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one
CID 105468011
5-ethyl-1-(2-hydroxypropyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 70656620
2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid
CID 105467640

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one?
The IUPAC name of 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one (CID 105435195) is 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one.
What is the SMILES notation for 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one?
The canonical SMILES for 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one is CCN1CCC(=O)N1CC(C)O.
What is the InChIKey of 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one?
The InChIKey is ZOHNZMWEDBENMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-9-5-4-8(12)10(9)6-7(2)11/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one?
1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one has a molecular weight of 172.23 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one is sourced from PubChem (CID 105435195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).