3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

C13H20N4O2 — CID 64901859

IUPAC3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCn2cccn2)C1=O
InChIInChI=1S/C13H20N4O2/c1-4-10-11(18)17(13(2,3)12(19)15-10)9-8-16-7-5-6-14-16/h5-7,10H,4,8-9H2,1-3H3,(H,15,19)
InChIKeyZBUCUAQUMBKBRC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.40
Rot. Bonds4

About 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (PubChem CID 64901859) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
PubChem CID64901859
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCn2cccn2)C1=O
InChIInChI=1S/C13H20N4O2/c1-4-10-11(18)17(13(2,3)12(19)15-10)9-8-16-7-5-6-14-16/h5-7,10H,4,8-9H2,1-3H3,(H,15,19)
InChIKeyZBUCUAQUMBKBRC-UHFFFAOYSA-N
XLogP0.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (CID 64901859) is 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is CCC1NC(=O)C(C)(C)N(CCn2cccn2)C1=O.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The InChIKey is ZBUCUAQUMBKBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-10-11(18)17(13(2,3)12(19)15-10)9-8-16-7-5-6-14-16/h5-7,10H,4,8-9H2,1-3H3,(H,15,19).
What are the key properties of 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).