1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one

C12H16N2O3 — CID 14840395

IUPAC1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one
SMILESCOCCC1CN(c2ccc(O)cc2)NC1=O
InChIInChI=1S/C12H16N2O3/c1-17-7-6-9-8-14(13-12(9)16)10-2-4-11(15)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,13,16)
InChIKeyFWYBLFKATYULQX-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.90
Rot. Bonds4

About 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one

1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one (PubChem CID 14840395) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one
PubChem CID14840395
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one
SMILESCOCCC1CN(c2ccc(O)cc2)NC1=O
InChIInChI=1S/C12H16N2O3/c1-17-7-6-9-8-14(13-12(9)16)10-2-4-11(15)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,13,16)
InChIKeyFWYBLFKATYULQX-UHFFFAOYSA-N
XLogP0.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one?
The IUPAC name of 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one (CID 14840395) is 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one is COCCC1CN(c2ccc(O)cc2)NC1=O.
What is the InChIKey of 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one?
The InChIKey is FWYBLFKATYULQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-7-6-9-8-14(13-12(9)16)10-2-4-11(15)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,13,16).
What are the key properties of 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one?
1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one has a molecular weight of 236.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-4-(2-methoxyethyl)pyrazolidin-3-one is sourced from PubChem (CID 14840395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).