2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine

C12H15N3O2S — CID 74241186

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine
SMILESCc1n[nH]c(C)c1-c1ccc(CS(C)(=O)=O)cn1
InChIInChI=1S/C12H15N3O2S/c1-8-12(9(2)15-14-8)11-5-4-10(6-13-11)7-18(3,16)17/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyLNGARYNWZMSJGQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.63
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine (PubChem CID 74241186) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine
PubChem CID74241186
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine
SMILESCc1n[nH]c(C)c1-c1ccc(CS(C)(=O)=O)cn1
InChIInChI=1S/C12H15N3O2S/c1-8-12(9(2)15-14-8)11-5-4-10(6-13-11)7-18(3,16)17/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyLNGARYNWZMSJGQ-UHFFFAOYSA-N
XLogP1.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine (CID 74241186) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine is Cc1n[nH]c(C)c1-c1ccc(CS(C)(=O)=O)cn1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine?
The InChIKey is LNGARYNWZMSJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-12(9(2)15-14-8)11-5-4-10(6-13-11)7-18(3,16)17/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine has a molecular weight of 265.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 74241186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).