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

C11H10F3N3O2S — CID 167877569

IUPAC2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine
SMILESCn1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H10F3N3O2S/c1-17-5-4-9(16-17)7-20(18,19)10-3-2-8(6-15-10)11(12,13)14/h2-6H,7H2,1H3
InChIKeyMTIIJHOSHUKPQE-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.81
Rot. Bonds3

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

2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine (PubChem CID 167877569) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine
PubChem CID167877569
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine
SMILESCn1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H10F3N3O2S/c1-17-5-4-9(16-17)7-20(18,19)10-3-2-8(6-15-10)11(12,13)14/h2-6H,7H2,1H3
InChIKeyMTIIJHOSHUKPQE-UHFFFAOYSA-N
XLogP1.81
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine (CID 167877569) is 2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine is Cn1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine?
The InChIKey is MTIIJHOSHUKPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-17-5-4-9(16-17)7-20(18,19)10-3-2-8(6-15-10)11(12,13)14/h2-6H,7H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine?
2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine has a molecular weight of 305.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 167877569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).