6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione

C13H20N4O3 — CID 64966235

IUPAC6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1cnn(CCOC)c1
InChIInChI=1S/C13H20N4O3/c1-4-11-12(18)15-9(2)13(19)17(11)10-7-14-16(8-10)5-6-20-3/h7-9,11H,4-6H2,1-3H3,(H,15,18)
InChIKeyIBVHPSIMFDYRNB-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.16
Rot. Bonds5

About 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione

6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione (PubChem CID 64966235) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione
PubChem CID64966235
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1cnn(CCOC)c1
InChIInChI=1S/C13H20N4O3/c1-4-11-12(18)15-9(2)13(19)17(11)10-7-14-16(8-10)5-6-20-3/h7-9,11H,4-6H2,1-3H3,(H,15,18)
InChIKeyIBVHPSIMFDYRNB-UHFFFAOYSA-N
XLogP0.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione (CID 64966235) is 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1c1cnn(CCOC)c1.
What is the InChIKey of 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione?
The InChIKey is IBVHPSIMFDYRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-11-12(18)15-9(2)13(19)17(11)10-7-14-16(8-10)5-6-20-3/h7-9,11H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione?
6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64966235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).