1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine

C16H23N5O2S — CID 71783866

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine
SMILESCc1cc(C)n(CCN2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C16H23N5O2S/c1-14-12-15(2)21(18-14)11-8-19-6-9-20(10-7-19)24(22,23)16-4-3-5-17-13-16/h3-5,12-13H,6-11H2,1-2H3
InChIKeyAAIZLWWWCWKWAU-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.90
Rot. Bonds5

About 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine

1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine (PubChem CID 71783866) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine
PubChem CID71783866
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine
SMILESCc1cc(C)n(CCN2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C16H23N5O2S/c1-14-12-15(2)21(18-14)11-8-19-6-9-20(10-7-19)24(22,23)16-4-3-5-17-13-16/h3-5,12-13H,6-11H2,1-2H3
InChIKeyAAIZLWWWCWKWAU-UHFFFAOYSA-N
XLogP0.90
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-{[2-(4-Methylpiperazin-1-Yl)ethyl]amino}-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)pyridine-3-Sulfonamide
CID 46179030
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 2738468
US9156811, Ddd87757
CID 57395296
US9156811, Ddd86298
CID 57397062
US9156811, Ddd86301
CID 57397063
US9156811, Ddd88000
CID 57398842
US9156811, Ddd88008
CID 57398843
US9156811, Ddd85627
CID 57402325
US9156811, Ddd86305
CID 57404042
1-Isopropyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 325375
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine
CID 3242905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine (CID 71783866) is 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine is Cc1cc(C)n(CCN2CCN(S(=O)(=O)c3cccnc3)CC2)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine?
The InChIKey is AAIZLWWWCWKWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-14-12-15(2)21(18-14)11-8-19-6-9-20(10-7-19)24(22,23)16-4-3-5-17-13-16/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine?
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine has a molecular weight of 349.46 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine is sourced from PubChem (CID 71783866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).