1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one

C17H21N3O3S — CID 166221559

IUPAC1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one
SMILESCCC(=O)C1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N3O3S/c1-2-17(21)16-10-6-7-11-20(16)24(22,23)15-12-18-19(13-15)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3
InChIKeyFSLNAVRMTKLFLQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.39
Rot. Bonds5

About 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one

1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one (PubChem CID 166221559) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one
PubChem CID166221559
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one
SMILESCCC(=O)C1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N3O3S/c1-2-17(21)16-10-6-7-11-20(16)24(22,23)15-12-18-19(13-15)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3
InChIKeyFSLNAVRMTKLFLQ-UHFFFAOYSA-N
XLogP2.39
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 51094154
[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969606
N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991320
1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 12643847
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
(1S,6R)-2-(1-phenylpyrazol-4-yl)sulfonyl-2-azabicyclo[4.1.0]heptane-1-carboxamide
CID 166281986
N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide
CID 97257956
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962892
N-methyl-1-[1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990922

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one?
The IUPAC name of 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one (CID 166221559) is 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one.
What is the SMILES notation for 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one?
The canonical SMILES for 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one is CCC(=O)C1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one?
The InChIKey is FSLNAVRMTKLFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-17(21)16-10-6-7-11-20(16)24(22,23)15-12-18-19(13-15)14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3.
What are the key properties of 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one?
1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one has a molecular weight of 347.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one is sourced from PubChem (CID 166221559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).