3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one

C9H14N4O3S — CID 104710168

IUPAC3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H14N4O3S/c1-7-9(14)10-5-6-13(7)17(15,16)8-3-4-11-12(8)2/h3-4,7H,5-6H2,1-2H3,(H,10,14)
InChIKeyDCJLSOBLLXRQQS-UHFFFAOYSA-N
MW258.30 g/mol
LogP-1.07
Rot. Bonds2

About 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one

3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one (PubChem CID 104710168) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one
PubChem CID104710168
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H14N4O3S/c1-7-9(14)10-5-6-13(7)17(15,16)8-3-4-11-12(8)2/h3-4,7H,5-6H2,1-2H3,(H,10,14)
InChIKeyDCJLSOBLLXRQQS-UHFFFAOYSA-N
XLogP-1.07
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2,6-dimethyl-1-(2-methylpyrazol-3-yl)sulfonylpiperazine
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3-methyl-4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
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CID 63607534
4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
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3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 63361950
1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
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4-bromo-3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
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CID 63606843

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one?
The IUPAC name of 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one (CID 104710168) is 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one is CC1C(=O)NCCN1S(=O)(=O)c1ccnn1C.
What is the InChIKey of 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one?
The InChIKey is DCJLSOBLLXRQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-7-9(14)10-5-6-13(7)17(15,16)8-3-4-11-12(8)2/h3-4,7H,5-6H2,1-2H3,(H,10,14).
What are the key properties of 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one?
3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one has a molecular weight of 258.30 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one is sourced from PubChem (CID 104710168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).