4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine

C18H13N3 — CID 54581362

IUPAC4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine
SMILESc1ccc2cc(-n3nccc3-c3ccncc3)ccc2c1
InChIInChI=1S/C18H13N3/c1-2-4-16-13-17(6-5-14(16)3-1)21-18(9-12-20-21)15-7-10-19-11-8-15/h1-13H
InChIKeyXOKWABHONZKNCB-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.09
Rot. Bonds2

About 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine

4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine (PubChem CID 54581362) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine
PubChem CID54581362
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine
SMILESc1ccc2cc(-n3nccc3-c3ccncc3)ccc2c1
InChIInChI=1S/C18H13N3/c1-2-4-16-13-17(6-5-14(16)3-1)21-18(9-12-20-21)15-7-10-19-11-8-15/h1-13H
InChIKeyXOKWABHONZKNCB-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine?
The IUPAC name of 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine (CID 54581362) is 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine.
What is the SMILES notation for 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine?
The canonical SMILES for 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine is c1ccc2cc(-n3nccc3-c3ccncc3)ccc2c1.
What is the InChIKey of 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine?
The InChIKey is XOKWABHONZKNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-4-16-13-17(6-5-14(16)3-1)21-18(9-12-20-21)15-7-10-19-11-8-15/h1-13H.
What are the key properties of 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine?
4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine has a molecular weight of 271.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-2-ylpyrazol-3-yl)pyridine is sourced from PubChem (CID 54581362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).