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

C15H10F3N3 — CID 29055922

IUPAC5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2cccc(-c3ccn[nH]3)c2)cn1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)14-5-4-12(9-19-14)10-2-1-3-11(8-10)13-6-7-20-21-13/h1-9H,(H,20,21)
InChIKeyULWFZAGHCKZLMQ-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.16
Rot. Bonds2

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

5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 29055922) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine
PubChem CID29055922
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2cccc(-c3ccn[nH]3)c2)cn1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)14-5-4-12(9-19-14)10-2-1-3-11(8-10)13-6-7-20-21-13/h1-9H,(H,20,21)
InChIKeyULWFZAGHCKZLMQ-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine (CID 29055922) is 5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2cccc(-c3ccn[nH]3)c2)cn1.
What is the InChIKey of 5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is ULWFZAGHCKZLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)14-5-4-12(9-19-14)10-2-1-3-11(8-10)13-6-7-20-21-13/h1-9H,(H,20,21).
What are the key properties of 5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine?
5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 289.26 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-pyrazol-5-yl)phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 29055922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).