5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine

C16H15N3O3S — CID 155790746

IUPAC5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(20,21)14-5-2-12(3-6-14)11-22-13-4-7-15(17-10-13)16-8-9-18-19-16/h2-10H,11H2,1H3,(H,18,19)
InChIKeyGRNMDJLPDDZBNK-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.45
Rot. Bonds5

About 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine

5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine (PubChem CID 155790746) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
PubChem CID155790746
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(20,21)14-5-2-12(3-6-14)11-22-13-4-7-15(17-10-13)16-8-9-18-19-16/h2-10H,11H2,1H3,(H,18,19)
InChIKeyGRNMDJLPDDZBNK-UHFFFAOYSA-N
XLogP2.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360897
5-[(1-methylsulfonylpiperidin-4-yl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 137364304
3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
CID 148504929
5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790556
5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790564
4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790621
3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790625
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628
(3S)-N,N-dimethyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-sulfonamide
CID 155790733
4-methyl-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]-1,3-thiazole
CID 168287902
4-methoxy-3-(4-methylsulfonylphenyl)-1H-pyrazolo[4,3-c]pyridine
CID 68069650
US11365192, Example 11-1
CID 142526519

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine (CID 155790746) is 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine is CS(=O)(=O)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1.
What is the InChIKey of 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The InChIKey is GRNMDJLPDDZBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-23(20,21)14-5-2-12(3-6-14)11-22-13-4-7-15(17-10-13)16-8-9-18-19-16/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine?
5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine has a molecular weight of 329.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 155790746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).