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

C11H16N4O2 — CID 102807643

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCc1nn(C)cc1N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C11H16N4O2/c1-6-9(5-14(4)13-6)15-8(3)10(16)12-7(2)11(15)17/h5,7-8H,1-4H3,(H,12,16)
InChIKeyGATSOVIRIKNICK-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.03
Rot. Bonds1

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

1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 102807643) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID102807643
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCc1nn(C)cc1N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C11H16N4O2/c1-6-9(5-14(4)13-6)15-8(3)10(16)12-7(2)11(15)17/h5,7-8H,1-4H3,(H,12,16)
InChIKeyGATSOVIRIKNICK-UHFFFAOYSA-N
XLogP-0.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.03
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)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione (CID 102807643) is 1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione is Cc1nn(C)cc1N1C(=O)C(C)NC(=O)C1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is GATSOVIRIKNICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-6-9(5-14(4)13-6)15-8(3)10(16)12-7(2)11(15)17/h5,7-8H,1-4H3,(H,12,16).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione?
1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of -0.03, 1 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)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 102807643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).