3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine

C9H15N3O2S — CID 73439220

IUPAC3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCNC1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)8-6-11-12-9(8)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyALXAFYVCKSKGSF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.28
Rot. Bonds2

About 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine

3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine (PubChem CID 73439220) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
PubChem CID73439220
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCNC1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)8-6-11-12-9(8)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyALXAFYVCKSKGSF-UHFFFAOYSA-N
XLogP0.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine (CID 73439220) is 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine is CS(=O)(=O)c1cn[nH]c1C1CCCNC1.
What is the InChIKey of 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is ALXAFYVCKSKGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-15(13,14)8-6-11-12-9(8)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 229.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 73439220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).