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

C15H24N4O2 — CID 64961099

IUPAC3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(c2cnn(CC)c2)C1=O
InChIInChI=1S/C15H24N4O2/c1-5-10(4)13-15(21)19(12(6-2)14(20)17-13)11-8-16-18(7-3)9-11/h8-10,12-13H,5-7H2,1-4H3,(H,17,20)
InChIKeyLCUWVUAKKQCYAE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.56
Rot. Bonds5

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

3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione (PubChem CID 64961099) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
PubChem CID64961099
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(c2cnn(CC)c2)C1=O
InChIInChI=1S/C15H24N4O2/c1-5-10(4)13-15(21)19(12(6-2)14(20)17-13)11-8-16-18(7-3)9-11/h8-10,12-13H,5-7H2,1-4H3,(H,17,20)
InChIKeyLCUWVUAKKQCYAE-UHFFFAOYSA-N
XLogP1.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-1-(1-ethylpyrazol-4-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961135
3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958754
6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione
CID 64966235
3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917503
3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione
CID 64966150
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione
CID 64961148
3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960512
1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 102807635
3-butan-2-yl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960454
3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
CID 64956689
6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64958396
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione (CID 64961099) is 3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(CC)N(c2cnn(CC)c2)C1=O.
What is the InChIKey of 3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
The InChIKey is LCUWVUAKKQCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-10(4)13-15(21)19(12(6-2)14(20)17-13)11-8-16-18(7-3)9-11/h8-10,12-13H,5-7H2,1-4H3,(H,17,20).
What are the key properties of 3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 64961099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).