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

C13H18N2O3 — CID 14840394

IUPAC4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one
SMILESCOCCC1CN(c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C13H18N2O3/c1-17-8-7-10-9-15(14-13(10)16)11-3-5-12(18-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,16)
InChIKeyRBSCJQFNIFTNEE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.20
Rot. Bonds5

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

4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one (PubChem CID 14840394) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one
PubChem CID14840394
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one
SMILESCOCCC1CN(c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C13H18N2O3/c1-17-8-7-10-9-15(14-13(10)16)11-3-5-12(18-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,16)
InChIKeyRBSCJQFNIFTNEE-UHFFFAOYSA-N
XLogP1.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one?
The IUPAC name of 4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one (CID 14840394) is 4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one.
What is the SMILES notation for 4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one?
The canonical SMILES for 4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one is COCCC1CN(c2ccc(OC)cc2)NC1=O.
What is the InChIKey of 4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one?
The InChIKey is RBSCJQFNIFTNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-8-7-10-9-15(14-13(10)16)11-3-5-12(18-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one?
4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one has a molecular weight of 250.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1-(4-methoxyphenyl)pyrazolidin-3-one is sourced from PubChem (CID 14840394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).