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

C13H14F3N3 — CID 82699986

IUPAC2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
SMILESCCc1cc(CC)n(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3/c1-3-9-8-10(4-2)19(18-9)12-11(13(14,15)16)6-5-7-17-12/h5-8H,3-4H2,1-2H3
InChIKeyBACSLQMVDGWHQJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.41
Rot. Bonds3

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

2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine (PubChem CID 82699986) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
PubChem CID82699986
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
SMILESCCc1cc(CC)n(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3/c1-3-9-8-10(4-2)19(18-9)12-11(13(14,15)16)6-5-7-17-12/h5-8H,3-4H2,1-2H3
InChIKeyBACSLQMVDGWHQJ-UHFFFAOYSA-N
XLogP3.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine (CID 82699986) is 2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine is CCc1cc(CC)n(-c2ncccc2C(F)(F)F)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is BACSLQMVDGWHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-3-9-8-10(4-2)19(18-9)12-11(13(14,15)16)6-5-7-17-12/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine?
2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine has a molecular weight of 269.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 82699986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).