1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione

C12H18N4O2 — CID 102807639

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2cn(C)nc2C)C1=O
InChIInChI=1S/C12H18N4O2/c1-5-9-12(18)16(8(3)11(17)13-9)10-6-15(4)14-7(10)2/h6,8-9H,5H2,1-4H3,(H,13,17)
InChIKeyXOOMMWMALLKHAI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.36
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione

1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 102807639) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione
PubChem CID102807639
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2cn(C)nc2C)C1=O
InChIInChI=1S/C12H18N4O2/c1-5-9-12(18)16(8(3)11(17)13-9)10-6-15(4)14-7(10)2/h6,8-9H,5H2,1-4H3,(H,13,17)
InChIKeyXOOMMWMALLKHAI-UHFFFAOYSA-N
XLogP0.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione (CID 102807639) is 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(c2cn(C)nc2C)C1=O.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is XOOMMWMALLKHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-5-9-12(18)16(8(3)11(17)13-9)10-6-15(4)14-7(10)2/h6,8-9H,5H2,1-4H3,(H,13,17).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione?
1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 102807639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).