2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide

C20H22N4O2 — CID 47088292

IUPAC2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccn(CCc3ccccn3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-16-6-8-18(9-7-16)26-15-20(25)22-19-11-14-24(23-19)13-10-17-5-3-4-12-21-17/h3-9,11-12,14H,2,10,13,15H2,1H3,(H,22,23,25)
InChIKeyBHASHSXSPYTEIH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.10
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide

2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide (PubChem CID 47088292) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide
PubChem CID47088292
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccn(CCc3ccccn3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-16-6-8-18(9-7-16)26-15-20(25)22-19-11-14-24(23-19)13-10-17-5-3-4-12-21-17/h3-9,11-12,14H,2,10,13,15H2,1H3,(H,22,23,25)
InChIKeyBHASHSXSPYTEIH-UHFFFAOYSA-N
XLogP3.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide (CID 47088292) is 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide is CCc1ccc(OCC(=O)Nc2ccn(CCc3ccccn3)n2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide?
The InChIKey is BHASHSXSPYTEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-16-6-8-18(9-7-16)26-15-20(25)22-19-11-14-24(23-19)13-10-17-5-3-4-12-21-17/h3-9,11-12,14H,2,10,13,15H2,1H3,(H,22,23,25).
What are the key properties of 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide?
2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 47088292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).