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

C12H18N4O2 — CID 64880362

IUPAC3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CCn2cccn2)C1=O
InChIInChI=1S/C12H18N4O2/c1-2-4-10-12(18)15(9-11(17)14-10)7-8-16-6-3-5-13-16/h3,5-6,10H,2,4,7-9H2,1H3,(H,14,17)
InChIKeyCBYVYPRKSYIHAK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.01
Rot. Bonds5

About 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (PubChem CID 64880362) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
PubChem CID64880362
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CCn2cccn2)C1=O
InChIInChI=1S/C12H18N4O2/c1-2-4-10-12(18)15(9-11(17)14-10)7-8-16-6-3-5-13-16/h3,5-6,10H,2,4,7-9H2,1H3,(H,14,17)
InChIKeyCBYVYPRKSYIHAK-UHFFFAOYSA-N
XLogP0.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (CID 64880362) is 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is CCCC1NC(=O)CN(CCn2cccn2)C1=O.
What is the InChIKey of 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The InChIKey is CBYVYPRKSYIHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-4-10-12(18)15(9-11(17)14-10)7-8-16-6-3-5-13-16/h3,5-6,10H,2,4,7-9H2,1H3,(H,14,17).
What are the key properties of 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64880362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).