1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone

C16H20N4O3S — CID 118740220

IUPAC1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCCN1C(=O)Cc1cccnc1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)14-11-18-19-16(14)13-6-2-3-8-20(13)15(21)9-12-5-4-7-17-10-12/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3,(H,18,19)
InChIKeyOFNILXHXZLOUDA-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.50
Rot. Bonds4

About 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone

1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 118740220) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID118740220
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCCN1C(=O)Cc1cccnc1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)14-11-18-19-16(14)13-6-2-3-8-20(13)15(21)9-12-5-4-7-17-10-12/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3,(H,18,19)
InChIKeyOFNILXHXZLOUDA-UHFFFAOYSA-N
XLogP1.50
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-Methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186077
N-(4-(phenylsulfonyl)benzyl)-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 68277348
trans-(1R,2R)-N-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76311093
trans-(1R,2R)-N-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76329161
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 71926746
2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 71934231
(1S,11S)-14-(1-ethylpyrazol-4-yl)sulfonyl-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 110202069
12-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-1-[(pyridin-4-YL)methyl]-tetradecahydro-1H-pyrido[3,4-B]1,5-diazacycloundecan-9-one
CID 110202149
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110272268
5-[2-(4-Methanesulfonyl-2H-pyrazol-3-YL)piperidine-1-carbonyl]-2-methylpyridine
CID 118740339
2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(1-methylpyrrole-2-carbonyl)piperidine
CID 118740358
(3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741500

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone (CID 118740220) is 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone is CS(=O)(=O)c1cn[nH]c1C1CCCCN1C(=O)Cc1cccnc1.
What is the InChIKey of 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is OFNILXHXZLOUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-24(22,23)14-11-18-19-16(14)13-6-2-3-8-20(13)15(21)9-12-5-4-7-17-10-12/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3,(H,18,19).
What are the key properties of 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 348.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 118740220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).