4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one

C11H14N2O2 — CID 14840375

IUPAC4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
SMILESO=C1NN(c2ccccc2)CC1CCO
InChIInChI=1S/C11H14N2O2/c14-7-6-9-8-13(12-11(9)15)10-4-2-1-3-5-10/h1-5,9,14H,6-8H2,(H,12,15)
InChIKeyQHTHBSKOQYBUFF-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.54
Rot. Bonds3

About 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one

4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one (PubChem CID 14840375) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
PubChem CID14840375
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
SMILESO=C1NN(c2ccccc2)CC1CCO
InChIInChI=1S/C11H14N2O2/c14-7-6-9-8-13(12-11(9)15)10-4-2-1-3-5-10/h1-5,9,14H,6-8H2,(H,12,15)
InChIKeyQHTHBSKOQYBUFF-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
CID 14840376
methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
CID 159587587
4-hydroxy-1-phenylpyrazolidin-3-one
CID 22417558
4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
CID 23393107
4-methyl-1-phenylpyrazolidin-3-one
CID 158996523
(4R)-4-methyl-1-phenylpyrazolidin-3-one
CID 685628
1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
CID 14840379
benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one
CID 163578199
4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one
CID 14840377
4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10560937
4,5-dimethyl-1-phenylpyrazolidin-3-one;5-ethyl-4-methyl-1-phenylpyrazolidin-3-one;(3-oxo-1-phenylpyrazolidin-4-yl)methyl N,N-dimethylcarbamate;4,5,5-trimethyl-1-phenylpyrazolidin-3-one
CID 160886684
4-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10750236

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one (CID 14840375) is 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one is O=C1NN(c2ccccc2)CC1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one?
The InChIKey is QHTHBSKOQYBUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-7-6-9-8-13(12-11(9)15)10-4-2-1-3-5-10/h1-5,9,14H,6-8H2,(H,12,15).
What are the key properties of 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one?
4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 14840375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).