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

C21H24FN3O2 — CID 170931536

IUPAC4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine
SMILESCC(C)Oc1ccn(-c2cc(Oc3ccc(C(C)(C)C)c(F)c3)ccn2)n1
InChIInChI=1S/C21H24FN3O2/c1-14(2)26-20-9-11-25(24-20)19-13-16(8-10-23-19)27-15-6-7-17(18(22)12-15)21(3,4)5/h6-14H,1-5H3
InChIKeyYMOAOPHCFSODCW-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.28
Rot. Bonds5

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

4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine (PubChem CID 170931536) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine
PubChem CID170931536
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine
SMILESCC(C)Oc1ccn(-c2cc(Oc3ccc(C(C)(C)C)c(F)c3)ccn2)n1
InChIInChI=1S/C21H24FN3O2/c1-14(2)26-20-9-11-25(24-20)19-13-16(8-10-23-19)27-15-6-7-17(18(22)12-15)21(3,4)5/h6-14H,1-5H3
InChIKeyYMOAOPHCFSODCW-UHFFFAOYSA-N
XLogP5.28
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.28
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-propan-2-yloxypyrazol-1-yl)pyridine?
The IUPAC name of 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine (CID 170931536) is 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine?
The canonical SMILES for 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine is CC(C)Oc1ccn(-c2cc(Oc3ccc(C(C)(C)C)c(F)c3)ccn2)n1.
What is the InChIKey of 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine?
The InChIKey is YMOAOPHCFSODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-14(2)26-20-9-11-25(24-20)19-13-16(8-10-23-19)27-15-6-7-17(18(22)12-15)21(3,4)5/h6-14H,1-5H3.
What are the key properties of 4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine?
4-(4-tert-butyl-3-fluorophenoxy)-2-(3-propan-2-yloxypyrazol-1-yl)pyridine has a molecular weight of 369.44 g/mol, XLogP of 5.28, 5 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-propan-2-yloxypyrazol-1-yl)pyridine is sourced from PubChem (CID 170931536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).