4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine

C12H11N5O2S — CID 132837712

IUPAC4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine
SMILESCS(=O)(=O)c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/C12H11N5O2S/c1-20(18,19)10-8-11(16-6-2-4-13-16)15-12(9-10)17-7-3-5-14-17/h2-9H,1H3
InChIKeyXMNYPRUPWCPDPC-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.86
Rot. Bonds3

About 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine

4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine (PubChem CID 132837712) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine
PubChem CID132837712
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine
SMILESCS(=O)(=O)c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/C12H11N5O2S/c1-20(18,19)10-8-11(16-6-2-4-13-16)15-12(9-10)17-7-3-5-14-17/h2-9H,1H3
InChIKeyXMNYPRUPWCPDPC-UHFFFAOYSA-N
XLogP0.86
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine?
The IUPAC name of 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine (CID 132837712) is 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine.
What is the SMILES notation for 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine?
The canonical SMILES for 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine is CS(=O)(=O)c1cc(-n2cccn2)nc(-n2cccn2)c1.
What is the InChIKey of 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine?
The InChIKey is XMNYPRUPWCPDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-20(18,19)10-8-11(16-6-2-4-13-16)15-12(9-10)17-7-3-5-14-17/h2-9H,1H3.
What are the key properties of 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine?
4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine has a molecular weight of 289.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-2,6-di(pyrazol-1-yl)pyridine is sourced from PubChem (CID 132837712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).