4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine

C15H13N3O2S — CID 3620985

IUPAC4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccncc3)cn2)cc1
InChIInChI=1S/C15H13N3O2S/c1-21(19,20)15-4-2-14(3-5-15)18-11-13(10-17-18)12-6-8-16-9-7-12/h2-11H,1H3
InChIKeyPGJUFUGSXPZZIO-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.34
Rot. Bonds3

About 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine

4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine (PubChem CID 3620985) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine
PubChem CID3620985
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccncc3)cn2)cc1
InChIInChI=1S/C15H13N3O2S/c1-21(19,20)15-4-2-14(3-5-15)18-11-13(10-17-18)12-6-8-16-9-7-12/h2-11H,1H3
InChIKeyPGJUFUGSXPZZIO-UHFFFAOYSA-N
XLogP2.34
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine (CID 3620985) is 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine is CS(=O)(=O)c1ccc(-n2cc(-c3ccncc3)cn2)cc1.
What is the InChIKey of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine?
The InChIKey is PGJUFUGSXPZZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-21(19,20)15-4-2-14(3-5-15)18-11-13(10-17-18)12-6-8-16-9-7-12/h2-11H,1H3.
What are the key properties of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine?
4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine has a molecular weight of 299.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 3620985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).