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

C15H19N3O3S2 — CID 118740369

IUPAC[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCCC(c3[nH]ncc3S(C)(=O)=O)C2)c1
InChIInChI=1S/C15H19N3O3S2/c1-10-6-12(22-9-10)15(19)18-5-3-4-11(8-18)14-13(7-16-17-14)23(2,20)21/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyVVWWZHVMJQROPT-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.20
Rot. Bonds3

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

[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 118740369) 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]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID118740369
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCCC(c3[nH]ncc3S(C)(=O)=O)C2)c1
InChIInChI=1S/C15H19N3O3S2/c1-10-6-12(22-9-10)15(19)18-5-3-4-11(8-18)14-13(7-16-17-14)23(2,20)21/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyVVWWZHVMJQROPT-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

(3-methyl-2-thienyl)[1-(1H-pyrazol-3-ylmethyl)piperidin-3-yl]methanone
CID 16188542
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095
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]-(3-methylthiophen-2-yl)methanone
CID 118740347
[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
(3-methylphenyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118740377
1-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26402717
2-methyl-1-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 37810715
1-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 42169853
3-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}-1H-pyrazole
CID 45829345

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 118740369) is [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCCC(c3[nH]ncc3S(C)(=O)=O)C2)c1.
What is the InChIKey of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is VVWWZHVMJQROPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-10-6-12(22-9-10)15(19)18-5-3-4-11(8-18)14-13(7-16-17-14)23(2,20)21/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of [3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-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]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 118740369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).