2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one

C11H18N4O3S — CID 47268099

IUPAC2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-9(2)11(16)14-3-5-15(6-4-14)19(17,18)10-7-12-13-8-10/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyCGNYKUFQXSLSPS-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.10
Rot. Bonds3

About 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one (PubChem CID 47268099) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one
PubChem CID47268099
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-9(2)11(16)14-3-5-15(6-4-14)19(17,18)10-7-12-13-8-10/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyCGNYKUFQXSLSPS-UHFFFAOYSA-N
XLogP-0.10
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one (CID 47268099) is 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one?
The InChIKey is CGNYKUFQXSLSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-9(2)11(16)14-3-5-15(6-4-14)19(17,18)10-7-12-13-8-10/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one has a molecular weight of 286.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 47268099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).