3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol

C16H15N3O4S — CID 148504929

IUPAC3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
SMILESCS(=O)(=O)c1cc(O)cc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C16H15N3O4S/c1-24(21,22)14-7-11(6-12(20)8-14)10-23-13-2-3-15(17-9-13)16-4-5-18-19-16/h2-9,20H,10H2,1H3,(H,18,19)
InChIKeyMLJQFEPLHURHHC-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.16
Rot. Bonds5

About 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol

3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol (PubChem CID 148504929) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol.

Molecular Properties

Compound Name3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
PubChem CID148504929
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
SMILESCS(=O)(=O)c1cc(O)cc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C16H15N3O4S/c1-24(21,22)14-7-11(6-12(20)8-14)10-23-13-2-3-15(17-9-13)16-4-5-18-19-16/h2-9,20H,10H2,1H3,(H,18,19)
InChIKeyMLJQFEPLHURHHC-UHFFFAOYSA-N
XLogP2.16
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360897
5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790746
US11365192, Example 11-1
CID 142526519
US11365192, Example 22-11
CID 153089248
3-[[6-(1H-Pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
CID 137487827
US11365192, Example 57-1
CID 142526520
US11365192, Example 56-1
CID 142526692
2-Methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
CID 142526730
US11365192, Example 14-1
CID 142526889
US11365192, Example 66-1
CID 142527050
US11365192, Example 23-1
CID 146658394
US11365192, Example 36-1
CID 146658395

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
The IUPAC name of 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol (CID 148504929) is 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol.
What is the SMILES notation for 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
The canonical SMILES for 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol is CS(=O)(=O)c1cc(O)cc(COc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
The InChIKey is MLJQFEPLHURHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-24(21,22)14-7-11(6-12(20)8-14)10-23-13-2-3-15(17-9-13)16-4-5-18-19-16/h2-9,20H,10H2,1H3,(H,18,19).
What are the key properties of 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol has a molecular weight of 345.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol is sourced from PubChem (CID 148504929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).