2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine

C11H10F3N3 — CID 1472388

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
SMILESCc1cc(C)n(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3/c1-7-6-8(2)17(16-7)10-9(11(12,13)14)4-3-5-15-10/h3-6H,1-2H3
InChIKeyFEJKDLIYEIHYKM-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.90
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine

2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine (PubChem CID 1472388) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
PubChem CID1472388
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
SMILESCc1cc(C)n(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3/c1-7-6-8(2)17(16-7)10-9(11(12,13)14)4-3-5-15-10/h3-6H,1-2H3
InChIKeyFEJKDLIYEIHYKM-UHFFFAOYSA-N
XLogP2.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine (CID 1472388) is 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine is Cc1cc(C)n(-c2ncccc2C(F)(F)F)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is FEJKDLIYEIHYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-7-6-8(2)17(16-7)10-9(11(12,13)14)4-3-5-15-10/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine?
2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine has a molecular weight of 241.22 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 1472388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).