3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine

C21H19N3O — CID 28881730

IUPAC3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine
SMILESc1cncc(CCCn2ccc(-c3cccc(-c4ccoc4)c3)n2)c1
InChIInChI=1S/C21H19N3O/c1-6-18(20-9-13-25-16-20)14-19(7-1)21-8-12-24(23-21)11-3-5-17-4-2-10-22-15-17/h1-2,4,6-10,12-16H,3,5,11H2
InChIKeyVWOMVLAJBKTEEV-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.84
Rot. Bonds6

About 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine

3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine (PubChem CID 28881730) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine.

Molecular Properties

Compound Name3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine
PubChem CID28881730
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine
SMILESc1cncc(CCCn2ccc(-c3cccc(-c4ccoc4)c3)n2)c1
InChIInChI=1S/C21H19N3O/c1-6-18(20-9-13-25-16-20)14-19(7-1)21-8-12-24(23-21)11-3-5-17-4-2-10-22-15-17/h1-2,4,6-10,12-16H,3,5,11H2
InChIKeyVWOMVLAJBKTEEV-UHFFFAOYSA-N
XLogP4.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine?
The IUPAC name of 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine (CID 28881730) is 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine.
What is the SMILES notation for 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine?
The canonical SMILES for 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine is c1cncc(CCCn2ccc(-c3cccc(-c4ccoc4)c3)n2)c1.
What is the InChIKey of 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine?
The InChIKey is VWOMVLAJBKTEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-6-18(20-9-13-25-16-20)14-19(7-1)21-8-12-24(23-21)11-3-5-17-4-2-10-22-15-17/h1-2,4,6-10,12-16H,3,5,11H2.
What are the key properties of 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine?
3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine has a molecular weight of 329.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-(furan-3-yl)phenyl]pyrazol-1-yl]propyl]pyridine is sourced from PubChem (CID 28881730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).