2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine

C13H17N3O — CID 131939002

IUPAC2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine
SMILESCCOc1ncccc1-c1cnn(CC)c1C
InChIInChI=1S/C13H17N3O/c1-4-16-10(3)12(9-15-16)11-7-6-8-14-13(11)17-5-2/h6-9H,4-5H2,1-3H3
InChIKeyHHDWWKQCAJOOOE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.67
Rot. Bonds4

About 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine

2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine (PubChem CID 131939002) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine
PubChem CID131939002
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine
SMILESCCOc1ncccc1-c1cnn(CC)c1C
InChIInChI=1S/C13H17N3O/c1-4-16-10(3)12(9-15-16)11-7-6-8-14-13(11)17-5-2/h6-9H,4-5H2,1-3H3
InChIKeyHHDWWKQCAJOOOE-UHFFFAOYSA-N
XLogP2.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine?
The IUPAC name of 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine (CID 131939002) is 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine is CCOc1ncccc1-c1cnn(CC)c1C.
What is the InChIKey of 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine?
The InChIKey is HHDWWKQCAJOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-16-10(3)12(9-15-16)11-7-6-8-14-13(11)17-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine?
2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine has a molecular weight of 231.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 131939002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).