3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione

C11H14N4O3 — CID 146574384

IUPAC3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione
SMILESO=C1CCC(Oc2cc3n(n2)CCNC3)C(=O)N1
InChIInChI=1S/C11H14N4O3/c16-9-2-1-8(11(17)13-9)18-10-5-7-6-12-3-4-15(7)14-10/h5,8,12H,1-4,6H2,(H,13,16,17)
InChIKeyNVRCOGBMMWDSSY-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.83
Rot. Bonds2

About 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione

3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione (PubChem CID 146574384) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione
PubChem CID146574384
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione
SMILESO=C1CCC(Oc2cc3n(n2)CCNC3)C(=O)N1
InChIInChI=1S/C11H14N4O3/c16-9-2-1-8(11(17)13-9)18-10-5-7-6-12-3-4-15(7)14-10/h5,8,12H,1-4,6H2,(H,13,16,17)
InChIKeyNVRCOGBMMWDSSY-UHFFFAOYSA-N
XLogP-0.83
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione?
The IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione (CID 146574384) is 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione.
What is the SMILES notation for 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione?
The canonical SMILES for 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione is O=C1CCC(Oc2cc3n(n2)CCNC3)C(=O)N1.
What is the InChIKey of 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione?
The InChIKey is NVRCOGBMMWDSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-9-2-1-8(11(17)13-9)18-10-5-7-6-12-3-4-15(7)14-10/h5,8,12H,1-4,6H2,(H,13,16,17).
What are the key properties of 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione?
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione has a molecular weight of 250.26 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yloxy)piperidine-2,6-dione is sourced from PubChem (CID 146574384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).