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

C18H19N3O — CID 118430491

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine
SMILESCCOc1nn(-c2ccccn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-3-22-18-16(13-15-9-5-4-6-10-15)14(2)21(20-18)17-11-7-8-12-19-17/h4-12H,3,13H2,1-2H3
InChIKeyAJQVHXAMGSHKPI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.57
Rot. Bonds5

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

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine (PubChem CID 118430491) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine
PubChem CID118430491
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine
SMILESCCOc1nn(-c2ccccn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-3-22-18-16(13-15-9-5-4-6-10-15)14(2)21(20-18)17-11-7-8-12-19-17/h4-12H,3,13H2,1-2H3
InChIKeyAJQVHXAMGSHKPI-UHFFFAOYSA-N
XLogP3.57
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine (CID 118430491) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine is CCOc1nn(-c2ccccn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine?
The InChIKey is AJQVHXAMGSHKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-22-18-16(13-15-9-5-4-6-10-15)14(2)21(20-18)17-11-7-8-12-19-17/h4-12H,3,13H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine has a molecular weight of 293.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine is sourced from PubChem (CID 118430491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).