2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one

C11H18N4O2 — CID 82511051

IUPAC2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one
SMILESCC1=NN(C)C(=O)C1CC(=O)N1CCNCC1
InChIInChI=1S/C11H18N4O2/c1-8-9(11(17)14(2)13-8)7-10(16)15-5-3-12-4-6-15/h9,12H,3-7H2,1-2H3
InChIKeyLPQQXURUSSLEFR-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.73
Rot. Bonds2

About 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one

2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one (PubChem CID 82511051) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one
PubChem CID82511051
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one
SMILESCC1=NN(C)C(=O)C1CC(=O)N1CCNCC1
InChIInChI=1S/C11H18N4O2/c1-8-9(11(17)14(2)13-8)7-10(16)15-5-3-12-4-6-15/h9,12H,3-7H2,1-2H3
InChIKeyLPQQXURUSSLEFR-UHFFFAOYSA-N
XLogP-0.73
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperazin-1-yl-2-(thietan-3-yl)ethanone
CID 84669595
1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703437
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82509687
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 119417879
4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
CID 63102108
5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 120982053
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
CID 83930095
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one?
The IUPAC name of 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one (CID 82511051) is 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one?
The canonical SMILES for 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one is CC1=NN(C)C(=O)C1CC(=O)N1CCNCC1.
What is the InChIKey of 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one?
The InChIKey is LPQQXURUSSLEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-9(11(17)14(2)13-8)7-10(16)15-5-3-12-4-6-15/h9,12H,3-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one?
2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one has a molecular weight of 238.29 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 82511051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).