2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide

C16H28N4O3S — CID 8009596

IUPAC2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C
InChIInChI=1S/C16H28N4O3S/c1-5-18(6-2)15(21)12-20-14(4)16(13(3)17-20)24(22,23)19-10-8-7-9-11-19/h5-12H2,1-4H3
InChIKeyJKTFJVGOBXMOCF-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.54
Rot. Bonds6

About 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide

2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide (PubChem CID 8009596) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide
PubChem CID8009596
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C
InChIInChI=1S/C16H28N4O3S/c1-5-18(6-2)15(21)12-20-14(4)16(13(3)17-20)24(22,23)19-10-8-7-9-11-19/h5-12H2,1-4H3
InChIKeyJKTFJVGOBXMOCF-UHFFFAOYSA-N
XLogP1.54
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide (CID 8009596) is 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C.
What is the InChIKey of 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide?
The InChIKey is JKTFJVGOBXMOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-5-18(6-2)15(21)12-20-14(4)16(13(3)17-20)24(22,23)19-10-8-7-9-11-19/h5-12H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide?
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide has a molecular weight of 356.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 8009596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).