1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione

C15H24N4O2 — CID 64875259

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C15H24N4O2/c1-5-10(3)19-8-7-12(17-19)9-18-13(6-2)14(20)16-11(4)15(18)21/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,16,20)
InChIKeyOTDLYUGOLOGMSD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.48
Rot. Bonds5

About 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64875259) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64875259
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C15H24N4O2/c1-5-10(3)19-8-7-12(17-19)9-18-13(6-2)14(20)16-11(4)15(18)21/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,16,20)
InChIKeyOTDLYUGOLOGMSD-UHFFFAOYSA-N
XLogP1.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione (CID 64875259) is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1Cc1ccn(C(C)CC)n1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is OTDLYUGOLOGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-10(3)19-8-7-12(17-19)9-18-13(6-2)14(20)16-11(4)15(18)21/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,16,20).
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64875259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).