3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione

C11H16N4O2 — CID 66068238

IUPAC3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione
SMILESCCC1NCC(=O)N(CCn2cccn2)C1=O
InChIInChI=1S/C11H16N4O2/c1-2-9-11(17)15(10(16)8-12-9)7-6-14-5-3-4-13-14/h3-5,9,12H,2,6-8H2,1H3
InChIKeyZFDSMCCQFZLHGA-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.38
Rot. Bonds4

About 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione

3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione (PubChem CID 66068238) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione
PubChem CID66068238
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione
SMILESCCC1NCC(=O)N(CCn2cccn2)C1=O
InChIInChI=1S/C11H16N4O2/c1-2-9-11(17)15(10(16)8-12-9)7-6-14-5-3-4-13-14/h3-5,9,12H,2,6-8H2,1H3
InChIKeyZFDSMCCQFZLHGA-UHFFFAOYSA-N
XLogP-0.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione (CID 66068238) is 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione is CCC1NCC(=O)N(CCn2cccn2)C1=O.
What is the InChIKey of 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione?
The InChIKey is ZFDSMCCQFZLHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-9-11(17)15(10(16)8-12-9)7-6-14-5-3-4-13-14/h3-5,9,12H,2,6-8H2,1H3.
What are the key properties of 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione?
3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione has a molecular weight of 236.27 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione is sourced from PubChem (CID 66068238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).