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

C10H14N4O2 — CID 102807608

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
SMILESCc1nn(C)cc1N1CC(=O)NC(C)C1=O
InChIInChI=1S/C10H14N4O2/c1-6-8(4-13(3)12-6)14-5-9(15)11-7(2)10(14)16/h4,7H,5H2,1-3H3,(H,11,15)
InChIKeyYKIUIARCEKDESL-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.42
Rot. Bonds1

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

1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione (PubChem CID 102807608) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
PubChem CID102807608
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
SMILESCc1nn(C)cc1N1CC(=O)NC(C)C1=O
InChIInChI=1S/C10H14N4O2/c1-6-8(4-13(3)12-6)14-5-9(15)11-7(2)10(14)16/h4,7H,5H2,1-3H3,(H,11,15)
InChIKeyYKIUIARCEKDESL-UHFFFAOYSA-N
XLogP-0.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.42
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-methylpiperazine-2,5-dione?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione (CID 102807608) is 1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione is Cc1nn(C)cc1N1CC(=O)NC(C)C1=O.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione?
The InChIKey is YKIUIARCEKDESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-8(4-13(3)12-6)14-5-9(15)11-7(2)10(14)16/h4,7H,5H2,1-3H3,(H,11,15).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione?
1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione has a molecular weight of 222.25 g/mol, XLogP of -0.42, 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-methylpiperazine-2,5-dione is sourced from PubChem (CID 102807608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).