1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione

C9H12N4O2 — CID 64955046

IUPAC1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCn1cc(N2CC(=O)NCC2=O)cn1
InChIInChI=1S/C9H12N4O2/c1-2-12-5-7(3-11-12)13-6-8(14)10-4-9(13)15/h3,5H,2,4,6H2,1H3,(H,10,14)
InChIKeyMZRXGOHBKZDFKQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.63
Rot. Bonds2

About 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione

1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione (PubChem CID 64955046) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
PubChem CID64955046
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCn1cc(N2CC(=O)NCC2=O)cn1
InChIInChI=1S/C9H12N4O2/c1-2-12-5-7(3-11-12)13-6-8(14)10-4-9(13)15/h3,5H,2,4,6H2,1H3,(H,10,14)
InChIKeyMZRXGOHBKZDFKQ-UHFFFAOYSA-N
XLogP-0.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione (CID 64955046) is 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione is CCn1cc(N2CC(=O)NCC2=O)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
The InChIKey is MZRXGOHBKZDFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-12-5-7(3-11-12)13-6-8(14)10-4-9(13)15/h3,5H,2,4,6H2,1H3,(H,10,14).
What are the key properties of 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione has a molecular weight of 208.22 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 64955046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).