2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine

C16H15N3O — CID 58130254

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine
SMILESCc1cc(C)n(-c2cccc(Oc3ccccn3)c2)n1
InChIInChI=1S/C16H15N3O/c1-12-10-13(2)19(18-12)14-6-5-7-15(11-14)20-16-8-3-4-9-17-16/h3-11H,1-2H3
InChIKeyBCKSKAUJTMWZHL-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.68
Rot. Bonds3

About 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine

2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine (PubChem CID 58130254) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine
PubChem CID58130254
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine
SMILESCc1cc(C)n(-c2cccc(Oc3ccccn3)c2)n1
InChIInChI=1S/C16H15N3O/c1-12-10-13(2)19(18-12)14-6-5-7-15(11-14)20-16-8-3-4-9-17-16/h3-11H,1-2H3
InChIKeyBCKSKAUJTMWZHL-UHFFFAOYSA-N
XLogP3.68
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine (CID 58130254) is 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine is Cc1cc(C)n(-c2cccc(Oc3ccccn3)c2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine?
The InChIKey is BCKSKAUJTMWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-10-13(2)19(18-12)14-6-5-7-15(11-14)20-16-8-3-4-9-17-16/h3-11H,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine?
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine has a molecular weight of 265.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]pyridine is sourced from PubChem (CID 58130254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).