4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine

C19H20FN3O2 — CID 170931575

IUPAC4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine
SMILESCOc1ccn(-c2cc(Oc3ccc(C(C)(C)C)c(F)c3)ccn2)n1
InChIInChI=1S/C19H20FN3O2/c1-19(2,3)15-6-5-13(11-16(15)20)25-14-7-9-21-17(12-14)23-10-8-18(22-23)24-4/h5-12H,1-4H3
InChIKeyXHJLOSLCRUPVKG-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.50
Rot. Bonds4

About 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine

4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine (PubChem CID 170931575) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine
PubChem CID170931575
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine
SMILESCOc1ccn(-c2cc(Oc3ccc(C(C)(C)C)c(F)c3)ccn2)n1
InChIInChI=1S/C19H20FN3O2/c1-19(2,3)15-6-5-13(11-16(15)20)25-14-7-9-21-17(12-14)23-10-8-18(22-23)24-4/h5-12H,1-4H3
InChIKeyXHJLOSLCRUPVKG-UHFFFAOYSA-N
XLogP4.50
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine?
The IUPAC name of 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine (CID 170931575) is 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine?
The canonical SMILES for 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine is COc1ccn(-c2cc(Oc3ccc(C(C)(C)C)c(F)c3)ccn2)n1.
What is the InChIKey of 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine?
The InChIKey is XHJLOSLCRUPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-19(2,3)15-6-5-13(11-16(15)20)25-14-7-9-21-17(12-14)23-10-8-18(22-23)24-4/h5-12H,1-4H3.
What are the key properties of 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine?
4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine has a molecular weight of 341.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-methoxypyrazol-1-yl)pyridine is sourced from PubChem (CID 170931575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).