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

C11H16N4O2 — CID 107465007

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
SMILESCCc1nn(C)cc1N1CC(=O)NC(C)C1=O
InChIInChI=1S/C11H16N4O2/c1-4-8-9(5-14(3)13-8)15-6-10(16)12-7(2)11(15)17/h5,7H,4,6H2,1-3H3,(H,12,16)
InChIKeyPHYGCIBZWZAAMA-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.17
Rot. Bonds2

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

1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione (PubChem CID 107465007) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
PubChem CID107465007
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
SMILESCCc1nn(C)cc1N1CC(=O)NC(C)C1=O
InChIInChI=1S/C11H16N4O2/c1-4-8-9(5-14(3)13-8)15-6-10(16)12-7(2)11(15)17/h5,7H,4,6H2,1-3H3,(H,12,16)
InChIKeyPHYGCIBZWZAAMA-UHFFFAOYSA-N
XLogP-0.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
CID 102807608
3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 107464837
1-(4-bromo-2-ethylphenyl)-3-methylpiperazine-2,5-dione
CID 81290854
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one
CID 107463326
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-amine
CID 107463343
3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 107464996
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 107464990
1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107464738
1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione
CID 64970237
5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one
CID 112671694
1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione
CID 104725428
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 107594316

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione (CID 107465007) is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione is CCc1nn(C)cc1N1CC(=O)NC(C)C1=O.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione?
The InChIKey is PHYGCIBZWZAAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-8-9(5-14(3)13-8)15-6-10(16)12-7(2)11(15)17/h5,7H,4,6H2,1-3H3,(H,12,16).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione?
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 107465007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).