[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C15H19N3O3S2 — CID 118740351

IUPAC[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3[nH]ncc3S(C)(=O)=O)C2)s1
InChIInChI=1S/C15H19N3O3S2/c1-10-5-6-12(22-10)15(19)18-7-3-4-11(9-18)14-13(8-16-17-14)23(2,20)21/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyAPOWCNHDCIICMR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.20
Rot. Bonds3

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

[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 118740351) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID118740351
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3[nH]ncc3S(C)(=O)=O)C2)s1
InChIInChI=1S/C15H19N3O3S2/c1-10-5-6-12(22-10)15(19)18-7-3-4-11(9-18)14-13(8-16-17-14)23(2,20)21/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyAPOWCNHDCIICMR-UHFFFAOYSA-N
XLogP2.20
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(thiophene-3-carbonyl)piperidine
CID 118740223
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 118740347
2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(5-methylthiophene-2-carbonyl)piperidine
CID 118740357
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 118740369
(3-methylphenyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118740377
(4-(methylsulfonyl)piperazin-1-yl)(5-(thiophen-2-yl)-1H-pyrazol-3-yl)methanone
CID 45504224
thiomorpholin-4-yl[5-(thiophen-2-yl)-1H-pyrazol-4-yl]methanone
CID 71824789
[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 97152577
(3-Methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(5-propan-2-ylthiophen-3-yl)methanone
CID 124207996
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 136587876
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide
CID 138035987
5,5-difluoro-2-methyl-1-[5-(1H-pyrazol-3-yl)thiophene-2-carbonyl]piperidine
CID 136573175

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 118740351) is [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCCC(c3[nH]ncc3S(C)(=O)=O)C2)s1.
What is the InChIKey of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is APOWCNHDCIICMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-10-5-6-12(22-10)15(19)18-7-3-4-11(9-18)14-13(8-16-17-14)23(2,20)21/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17).
What are the key properties of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 118740351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).