5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine

C15H19N3O2 — CID 130360539

IUPAC5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESCCOc1ccc(-c2ccnn2C2CCCCO2)nc1
InChIInChI=1S/C15H19N3O2/c1-2-19-12-6-7-13(16-11-12)14-8-9-17-18(14)15-5-3-4-10-20-15/h6-9,11,15H,2-5,10H2,1H3
InChIKeyJKQWFCDGVHDTGP-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.04
Rot. Bonds4

About 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine

5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine (PubChem CID 130360539) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
PubChem CID130360539
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESCCOc1ccc(-c2ccnn2C2CCCCO2)nc1
InChIInChI=1S/C15H19N3O2/c1-2-19-12-6-7-13(16-11-12)14-8-9-17-18(14)15-5-3-4-10-20-15/h6-9,11,15H,2-5,10H2,1H3
InChIKeyJKQWFCDGVHDTGP-UHFFFAOYSA-N
XLogP3.04
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine (CID 130360539) is 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine is CCOc1ccc(-c2ccnn2C2CCCCO2)nc1.
What is the InChIKey of 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The InChIKey is JKQWFCDGVHDTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-19-12-6-7-13(16-11-12)14-8-9-17-18(14)15-5-3-4-10-20-15/h6-9,11,15H,2-5,10H2,1H3.
What are the key properties of 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine has a molecular weight of 273.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 130360539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).