1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

C9H12N4O2 — CID 64874237

IUPAC1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESO=C1CN(CCn2cccn2)C(=O)CN1
InChIInChI=1S/C9H12N4O2/c14-8-7-12(9(15)6-10-8)4-5-13-3-1-2-11-13/h1-3H,4-7H2,(H,10,14)
InChIKeyKALAHPUWZQEZOW-UHFFFAOYSA-N
MW208.22 g/mol
LogP-1.16
Rot. Bonds3

About 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (PubChem CID 64874237) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
PubChem CID64874237
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESO=C1CN(CCn2cccn2)C(=O)CN1
InChIInChI=1S/C9H12N4O2/c14-8-7-12(9(15)6-10-8)4-5-13-3-1-2-11-13/h1-3H,4-7H2,(H,10,14)
InChIKeyKALAHPUWZQEZOW-UHFFFAOYSA-N
XLogP-1.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (CID 64874237) is 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is O=C1CN(CCn2cccn2)C(=O)CN1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The InChIKey is KALAHPUWZQEZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-7-12(9(15)6-10-8)4-5-13-3-1-2-11-13/h1-3H,4-7H2,(H,10,14).
What are the key properties of 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione has a molecular weight of 208.22 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64874237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).