6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione

C12H18N4O2 — CID 107464990

IUPAC6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCc1nn(C)cc1N1C(=O)CNC(=O)C1CC
InChIInChI=1S/C12H18N4O2/c1-4-8-10(7-15(3)14-8)16-9(5-2)12(18)13-6-11(16)17/h7,9H,4-6H2,1-3H3,(H,13,18)
InChIKeyQAZGJJOZZMSDKA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.22
Rot. Bonds3

About 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione

6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione (PubChem CID 107464990) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
PubChem CID107464990
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCc1nn(C)cc1N1C(=O)CNC(=O)C1CC
InChIInChI=1S/C12H18N4O2/c1-4-8-10(7-15(3)14-8)16-9(5-2)12(18)13-6-11(16)17/h7,9H,4-6H2,1-3H3,(H,13,18)
InChIKeyQAZGJJOZZMSDKA-UHFFFAOYSA-N
XLogP0.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
CID 64969761
3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 107464996
1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 82758495
1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107464738
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 107464837
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one
CID 107463326
1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione
CID 83081530
5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one
CID 112671694
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
CID 107465007
1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 64962294
6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964210

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione (CID 107464990) is 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione is CCc1nn(C)cc1N1C(=O)CNC(=O)C1CC.
What is the InChIKey of 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione?
The InChIKey is QAZGJJOZZMSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-8-10(7-15(3)14-8)16-9(5-2)12(18)13-6-11(16)17/h7,9H,4-6H2,1-3H3,(H,13,18).
What are the key properties of 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione?
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 107464990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).