4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine

C20H13F3N4 — CID 11588676

IUPAC4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)15-5-3-4-14(10-15)18-11-13(7-9-25-18)16-12-26-27-19(16)17-6-1-2-8-24-17/h1-12H,(H,26,27)
InChIKeyGABJTGFJNPTOCB-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.22
Rot. Bonds3

About 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine

4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 11588676) has the molecular formula C20H13F3N4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID11588676
Molecular FormulaC20H13F3N4
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)15-5-3-4-14(10-15)18-11-13(7-9-25-18)16-12-26-27-19(16)17-6-1-2-8-24-17/h1-12H,(H,26,27)
InChIKeyGABJTGFJNPTOCB-UHFFFAOYSA-N
XLogP5.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine (CID 11588676) is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1.
What is the InChIKey of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is GABJTGFJNPTOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4/c21-20(22,23)15-5-3-4-14(10-15)18-11-13(7-9-25-18)16-12-26-27-19(16)17-6-1-2-8-24-17/h1-12H,(H,26,27).
What are the key properties of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine?
4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 366.35 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 11588676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).