1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

C23H26N4O3S — CID 110218048

IUPAC1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
SMILESCc1cnccc1-c1cn[nH]c1C1CCCCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H26N4O3S/c1-16-14-24-11-10-19(16)20-15-25-26-23(20)21-5-3-4-12-27(21)22(28)13-17-6-8-18(9-7-17)31(2,29)30/h6-11,14-15,21H,3-5,12-13H2,1-2H3,(H,25,26)
InChIKeyCLETWEOEYLZBGI-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.48
Rot. Bonds5

About 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone (PubChem CID 110218048) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
PubChem CID110218048
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
SMILESCc1cnccc1-c1cn[nH]c1C1CCCCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H26N4O3S/c1-16-14-24-11-10-19(16)20-15-25-26-23(20)21-5-3-4-12-27(21)22(28)13-17-6-8-18(9-7-17)31(2,29)30/h6-11,14-15,21H,3-5,12-13H2,1-2H3,(H,25,26)
InChIKeyCLETWEOEYLZBGI-UHFFFAOYSA-N
XLogP3.48
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone with MolForge

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Related Compounds

2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 92563455
2-(azepan-1-yl)-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 92563449
2-(2-methoxyphenyl)-1-[(2S)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 92563469
3-[4-(dimethylamino)phenyl]-1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110218110
2-(4-methylphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557663
2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557662
1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 92553793
2-(4-ethoxyphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593685
2-(4-ethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593684
1-[2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 110218029
(2-methoxy-3-methylphenyl)-[(2S)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92561339
1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136766095

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone (CID 110218048) is 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone is Cc1cnccc1-c1cn[nH]c1C1CCCCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone?
The InChIKey is CLETWEOEYLZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16-14-24-11-10-19(16)20-15-25-26-23(20)21-5-3-4-12-27(21)22(28)13-17-6-8-18(9-7-17)31(2,29)30/h6-11,14-15,21H,3-5,12-13H2,1-2H3,(H,25,26).
What are the key properties of 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone?
1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone has a molecular weight of 438.55 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 110218048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).