5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine

C20H16FN3O — CID 169306220

IUPAC5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine
SMILESCOc1ccc2c(-c3cn(C)nc3-c3ccc(F)cn3)cccc2c1
InChIInChI=1S/C20H16FN3O/c1-24-12-18(20(23-24)19-9-6-14(21)11-22-19)17-5-3-4-13-10-15(25-2)7-8-16(13)17/h3-12H,1-2H3
InChIKeyOVVQLMCZXHQPBZ-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.45
Rot. Bonds3

About 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine

5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine (PubChem CID 169306220) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine
PubChem CID169306220
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine
SMILESCOc1ccc2c(-c3cn(C)nc3-c3ccc(F)cn3)cccc2c1
InChIInChI=1S/C20H16FN3O/c1-24-12-18(20(23-24)19-9-6-14(21)11-22-19)17-5-3-4-13-10-15(25-2)7-8-16(13)17/h3-12H,1-2H3
InChIKeyOVVQLMCZXHQPBZ-UHFFFAOYSA-N
XLogP4.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine?
The IUPAC name of 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine (CID 169306220) is 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine is COc1ccc2c(-c3cn(C)nc3-c3ccc(F)cn3)cccc2c1.
What is the InChIKey of 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine?
The InChIKey is OVVQLMCZXHQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-24-12-18(20(23-24)19-9-6-14(21)11-22-19)17-5-3-4-13-10-15(25-2)7-8-16(13)17/h3-12H,1-2H3.
What are the key properties of 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine?
5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine has a molecular weight of 333.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(6-methoxynaphthalen-1-yl)-1-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 169306220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).