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

C15H24N4O2 — CID 107464996

IUPAC3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCc1nn(C)cc1N1C(=O)C(CC)NC(=O)C1C(C)C
InChIInChI=1S/C15H24N4O2/c1-6-10-12(8-18(5)17-10)19-13(9(3)4)14(20)16-11(7-2)15(19)21/h8-9,11,13H,6-7H2,1-5H3,(H,16,20)
InChIKeyLDABRVOVSSVLIH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.25
Rot. Bonds4

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

3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 107464996) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID107464996
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCc1nn(C)cc1N1C(=O)C(CC)NC(=O)C1C(C)C
InChIInChI=1S/C15H24N4O2/c1-6-10-12(8-18(5)17-10)19-13(9(3)4)14(20)16-11(7-2)15(19)21/h8-9,11,13H,6-7H2,1-5H3,(H,16,20)
InChIKeyLDABRVOVSSVLIH-UHFFFAOYSA-N
XLogP1.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590262
1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 102807639
1-(2-bromo-5-methylphenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 82749874
1-(3-chloro-2-fluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64962900
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 107464990
3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970383
1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64962495
1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 102807635
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
CID 107465007
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64903182
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione (CID 107464996) is 3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione is CCc1nn(C)cc1N1C(=O)C(CC)NC(=O)C1C(C)C.
What is the InChIKey of 3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is LDABRVOVSSVLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-6-10-12(8-18(5)17-10)19-13(9(3)4)14(20)16-11(7-2)15(19)21/h8-9,11,13H,6-7H2,1-5H3,(H,16,20).
What are the key properties of 3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107464996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).