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

C21H14F3N3 — CID 11439953

IUPAC2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2ccn(-c3ccccn3)n2)c1
InChIInChI=1S/C21H14F3N3/c22-21(23,24)18-9-2-1-8-17(18)15-6-5-7-16(14-15)19-11-13-27(26-19)20-10-3-4-12-25-20/h1-14H
InChIKeyPDZLRKHRXJJZBM-UHFFFAOYSA-N
MW365.36 g/mol
LogP5.62
Rot. Bonds3

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

2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine (PubChem CID 11439953) has the molecular formula C21H14F3N3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine
PubChem CID11439953
Molecular FormulaC21H14F3N3
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2ccn(-c3ccccn3)n2)c1
InChIInChI=1S/C21H14F3N3/c22-21(23,24)18-9-2-1-8-17(18)15-6-5-7-16(14-15)19-11-13-27(26-19)20-10-3-4-12-25-20/h1-14H
InChIKeyPDZLRKHRXJJZBM-UHFFFAOYSA-N
XLogP5.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.36
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine?
The IUPAC name of 2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine (CID 11439953) is 2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine is FC(F)(F)c1ccccc1-c1cccc(-c2ccn(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine?
The InChIKey is PDZLRKHRXJJZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3/c22-21(23,24)18-9-2-1-8-17(18)15-6-5-7-16(14-15)19-11-13-27(26-19)20-10-3-4-12-25-20/h1-14H.
What are the key properties of 2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine?
2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine has a molecular weight of 365.36 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]pyridine is sourced from PubChem (CID 11439953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).