4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine

C16H14FN3O — CID 54222190

IUPAC4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine
SMILESCOc1cc(-c2cc(C)nn2-c2ccncc2)ccc1F
InChIInChI=1S/C16H14FN3O/c1-11-9-15(12-3-4-14(17)16(10-12)21-2)20(19-11)13-5-7-18-8-6-13/h3-10H,1-2H3
InChIKeyQDJLLHPEVVJJOK-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.39
Rot. Bonds3

About 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine

4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine (PubChem CID 54222190) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine
PubChem CID54222190
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine
SMILESCOc1cc(-c2cc(C)nn2-c2ccncc2)ccc1F
InChIInChI=1S/C16H14FN3O/c1-11-9-15(12-3-4-14(17)16(10-12)21-2)20(19-11)13-5-7-18-8-6-13/h3-10H,1-2H3
InChIKeyQDJLLHPEVVJJOK-UHFFFAOYSA-N
XLogP3.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine?
The IUPAC name of 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine (CID 54222190) is 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine is COc1cc(-c2cc(C)nn2-c2ccncc2)ccc1F.
What is the InChIKey of 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine?
The InChIKey is QDJLLHPEVVJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-9-15(12-3-4-14(17)16(10-12)21-2)20(19-11)13-5-7-18-8-6-13/h3-10H,1-2H3.
What are the key properties of 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine?
4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine has a molecular weight of 283.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine is sourced from PubChem (CID 54222190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).