4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine

C19H20FN3O2 — CID 170746673

IUPAC4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine
SMILESCOc1ccn(-c2cc(COc3ccc(C(C)C)c(F)c3)ccn2)n1
InChIInChI=1S/C19H20FN3O2/c1-13(2)16-5-4-15(11-17(16)20)25-12-14-6-8-21-18(10-14)23-9-7-19(22-23)24-3/h4-11,13H,12H2,1-3H3
InChIKeyHYOYGFBIVWHDGD-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.12
Rot. Bonds6

About 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine

4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine (PubChem CID 170746673) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine
PubChem CID170746673
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine
SMILESCOc1ccn(-c2cc(COc3ccc(C(C)C)c(F)c3)ccn2)n1
InChIInChI=1S/C19H20FN3O2/c1-13(2)16-5-4-15(11-17(16)20)25-12-14-6-8-21-18(10-14)23-9-7-19(22-23)24-3/h4-11,13H,12H2,1-3H3
InChIKeyHYOYGFBIVWHDGD-UHFFFAOYSA-N
XLogP4.12
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine?
The IUPAC name of 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine (CID 170746673) is 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine.
What is the SMILES notation for 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine?
The canonical SMILES for 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine is COc1ccn(-c2cc(COc3ccc(C(C)C)c(F)c3)ccn2)n1.
What is the InChIKey of 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine?
The InChIKey is HYOYGFBIVWHDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13(2)16-5-4-15(11-17(16)20)25-12-14-6-8-21-18(10-14)23-9-7-19(22-23)24-3/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine?
4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine has a molecular weight of 341.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]-2-(3-methoxypyrazol-1-yl)pyridine is sourced from PubChem (CID 170746673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).