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

C15H19N3O3S2 — CID 118740347

IUPAC[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C15H19N3O3S2/c1-10-5-7-22-14(10)15(19)18-6-3-4-11(9-18)13-12(8-16-17-13)23(2,20)21/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyZPLBXCMBABFSPM-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.20
Rot. Bonds3

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

[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 118740347) 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]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID118740347
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C15H19N3O3S2/c1-10-5-7-22-14(10)15(19)18-6-3-4-11(9-18)13-12(8-16-17-13)23(2,20)21/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyZPLBXCMBABFSPM-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

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

(7R)-7-methyl-3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 89889447
(7R)-7-ethyl-3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 127048109
(3-methyl-2-thienyl)[1-(1H-pyrazol-3-ylmethyl)piperidin-3-yl]methanone
CID 16188542
5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one
CID 57335445
N-({1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}methyl)thiophene-2-sulfonamide
CID 16189501
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thien-2-ylmethyl)piperidine-3-carboxamide
CID 3244395
5,5-dioxo-N-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole-3-carboxamide
CID 52103959
N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 118740152
2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(thiophene-3-carbonyl)piperidine
CID 118740223
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 118740351
2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(5-methylthiophene-2-carbonyl)piperidine
CID 118740357

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 118740347) is [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCCC(c2[nH]ncc2S(C)(=O)=O)C1.
What is the InChIKey of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is ZPLBXCMBABFSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-10-5-7-22-14(10)15(19)18-6-3-4-11(9-18)13-12(8-16-17-13)23(2,20)21/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,16,17).
What are the key properties of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-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]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 118740347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).