4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol

C10H17N3O3S — CID 165480041

IUPAC4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol
SMILESCS(=O)(=O)c1cnn(CC2(O)CCNCC2)c1
InChIInChI=1S/C10H17N3O3S/c1-17(15,16)9-6-12-13(7-9)8-10(14)2-4-11-5-3-10/h6-7,11,14H,2-5,8H2,1H3
InChIKeyPDSIZPGLEJQJMX-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.60
Rot. Bonds3

About 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol

4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol (PubChem CID 165480041) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol
PubChem CID165480041
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol
SMILESCS(=O)(=O)c1cnn(CC2(O)CCNCC2)c1
InChIInChI=1S/C10H17N3O3S/c1-17(15,16)9-6-12-13(7-9)8-10(14)2-4-11-5-3-10/h6-7,11,14H,2-5,8H2,1H3
InChIKeyPDSIZPGLEJQJMX-UHFFFAOYSA-N
XLogP-0.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol (CID 165480041) is 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol is CS(=O)(=O)c1cnn(CC2(O)CCNCC2)c1.
What is the InChIKey of 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol?
The InChIKey is PDSIZPGLEJQJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-17(15,16)9-6-12-13(7-9)8-10(14)2-4-11-5-3-10/h6-7,11,14H,2-5,8H2,1H3.
What are the key properties of 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol?
4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol has a molecular weight of 259.33 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylpyrazol-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 165480041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).