5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

C10H8F3N3O2S — CID 141041391

IUPAC5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)nc1
InChIInChI=1S/C10H8F3N3O2S/c1-19(17,18)7-2-3-9(14-6-7)16-5-4-8(15-16)10(11,12)13/h2-6H,1H3
InChIKeyIFGHOBKUYKZYPI-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.69
Rot. Bonds2

About 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 141041391) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID141041391
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)nc1
InChIInChI=1S/C10H8F3N3O2S/c1-19(17,18)7-2-3-9(14-6-7)16-5-4-8(15-16)10(11,12)13/h2-6H,1H3
InChIKeyIFGHOBKUYKZYPI-UHFFFAOYSA-N
XLogP1.69
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 141041391) is 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is CS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)nc1.
What is the InChIKey of 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is IFGHOBKUYKZYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-19(17,18)7-2-3-9(14-6-7)16-5-4-8(15-16)10(11,12)13/h2-6H,1H3.
What are the key properties of 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 291.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 141041391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).