1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione

C11H15N3O3 — CID 79517733

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione
SMILESCOCCn1cc(N2CCC(=O)CC2=O)cn1
InChIInChI=1S/C11H15N3O3/c1-17-5-4-13-8-9(7-12-13)14-3-2-10(15)6-11(14)16/h7-8H,2-6H2,1H3
InChIKeyOWUOOAAVCWMOJU-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.23
Rot. Bonds4

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione

1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione (PubChem CID 79517733) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione
PubChem CID79517733
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione
SMILESCOCCn1cc(N2CCC(=O)CC2=O)cn1
InChIInChI=1S/C11H15N3O3/c1-17-5-4-13-8-9(7-12-13)14-3-2-10(15)6-11(14)16/h7-8H,2-6H2,1H3
InChIKeyOWUOOAAVCWMOJU-UHFFFAOYSA-N
XLogP0.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione (CID 79517733) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione is COCCn1cc(N2CCC(=O)CC2=O)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione?
The InChIKey is OWUOOAAVCWMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-5-4-13-8-9(7-12-13)14-3-2-10(15)6-11(14)16/h7-8H,2-6H2,1H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione?
1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione is sourced from PubChem (CID 79517733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).