4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one

C7H10N4O3S — CID 47265881

IUPAC4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cn[nH]c2)CCN1
InChIInChI=1S/C7H10N4O3S/c12-7-5-11(2-1-8-7)15(13,14)6-3-9-10-4-6/h3-4H,1-2,5H2,(H,8,12)(H,9,10)
InChIKeyOKOAGJPCKNJZBF-UHFFFAOYSA-N
MW230.25 g/mol
LogP-1.47
Rot. Bonds2

About 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one

4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one (PubChem CID 47265881) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
PubChem CID47265881
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cn[nH]c2)CCN1
InChIInChI=1S/C7H10N4O3S/c12-7-5-11(2-1-8-7)15(13,14)6-3-9-10-4-6/h3-4H,1-2,5H2,(H,8,12)(H,9,10)
InChIKeyOKOAGJPCKNJZBF-UHFFFAOYSA-N
XLogP-1.47
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
CID 60814377
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
2-(1H-pyrazol-4-ylsulfonyl)-1,3-dihydroisoindole
CID 55049245
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
3-methyl-4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 63607963
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47268244
4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
CID 2465157
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
CID 95824755
4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-diazepan-2-one
CID 65366121
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 47267371

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one?
The IUPAC name of 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one (CID 47265881) is 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one.
What is the SMILES notation for 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one?
The canonical SMILES for 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one is O=C1CN(S(=O)(=O)c2cn[nH]c2)CCN1.
What is the InChIKey of 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one?
The InChIKey is OKOAGJPCKNJZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c12-7-5-11(2-1-8-7)15(13,14)6-3-9-10-4-6/h3-4H,1-2,5H2,(H,8,12)(H,9,10).
What are the key properties of 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one?
4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one has a molecular weight of 230.25 g/mol, XLogP of -1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one is sourced from PubChem (CID 47265881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).