2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide

C22H26N4O2 — CID 90588072

IUPAC2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCCn2ccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)18-4-6-19(7-5-18)28-16-21(27)24-13-15-26-14-10-20(25-26)17-8-11-23-12-9-17/h4-12,14H,13,15-16H2,1-3H3,(H,24,27)
InChIKeyHEGUTRYMBNKZEX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.44
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 90588072) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID90588072
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCCn2ccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)18-4-6-19(7-5-18)28-16-21(27)24-13-15-26-14-10-20(25-26)17-8-11-23-12-9-17/h4-12,14H,13,15-16H2,1-3H3,(H,24,27)
InChIKeyHEGUTRYMBNKZEX-UHFFFAOYSA-N
XLogP3.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588042
2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588058
2-(2-methoxyphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 71807840
1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 90588193
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
CID 90588000
4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90587985
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71807800
2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 126852859
2-ethoxy-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]acetamide
CID 119102670
2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35180836

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (CID 90588072) is 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCCn2ccc(-c3ccncc3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is HEGUTRYMBNKZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(2,3)18-4-6-19(7-5-18)28-16-21(27)24-13-15-26-14-10-20(25-26)17-8-11-23-12-9-17/h4-12,14H,13,15-16H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 90588072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).