2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide

C21H24N4O2 — CID 90588058

IUPAC2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)NCCn2ccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-16(2)17-3-5-19(6-4-17)27-15-21(26)23-12-14-25-13-9-20(24-25)18-7-10-22-11-8-18/h3-11,13,16H,12,14-15H2,1-2H3,(H,23,26)
InChIKeyYPAUECUUFRDDJV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.26
Rot. Bonds8

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

2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 90588058) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID90588058
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)NCCn2ccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-16(2)17-3-5-19(6-4-17)27-15-21(26)23-12-14-25-13-9-20(24-25)18-7-10-22-11-8-18/h3-11,13,16H,12,14-15H2,1-2H3,(H,23,26)
InChIKeyYPAUECUUFRDDJV-UHFFFAOYSA-N
XLogP3.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.26
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-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588072
2-(2-methoxyphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 71807840
4-propan-2-yl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588149
1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 90588193
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90515855
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121120727
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71807800

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (CID 90588058) is 2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is CC(C)c1ccc(OCC(=O)NCCn2ccc(-c3ccncc3)n2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is YPAUECUUFRDDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(2)17-3-5-19(6-4-17)27-15-21(26)23-12-14-25-13-9-20(24-25)18-7-10-22-11-8-18/h3-11,13,16H,12,14-15H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 90588058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).