3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one

C10H16N4O3S — CID 63601722

IUPAC3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H16N4O3S/c1-3-8-10(15)11-4-5-14(8)18(16,17)9-6-12-13-7(9)2/h6,8H,3-5H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyQINIBLMZFKMAOW-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.38
Rot. Bonds3

About 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one

3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one (PubChem CID 63601722) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
PubChem CID63601722
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H16N4O3S/c1-3-8-10(15)11-4-5-14(8)18(16,17)9-6-12-13-7(9)2/h6,8H,3-5H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyQINIBLMZFKMAOW-UHFFFAOYSA-N
XLogP-0.38
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one (CID 63601722) is 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one?
The InChIKey is QINIBLMZFKMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-3-8-10(15)11-4-5-14(8)18(16,17)9-6-12-13-7(9)2/h6,8H,3-5H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one?
3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one has a molecular weight of 272.33 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one is sourced from PubChem (CID 63601722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).