N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide

C24H28N4O3 — CID 52905928

IUPACN-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(-c3ccc(C)cc3)c(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H28N4O3/c1-3-31-21-10-8-20(9-11-21)25-23(29)17-28-16-22(19-6-4-18(2)5-7-19)24(26-28)27-12-14-30-15-13-27/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29)
InChIKeyZSJVAGVNHUFPSJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.73
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (PubChem CID 52905928) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
PubChem CID52905928
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(-c3ccc(C)cc3)c(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H28N4O3/c1-3-31-21-10-8-20(9-11-21)25-23(29)17-28-16-22(19-6-4-18(2)5-7-19)24(26-28)27-12-14-30-15-13-27/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29)
InChIKeyZSJVAGVNHUFPSJ-UHFFFAOYSA-N
XLogP3.73
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905943
N-(3-fluorophenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905942
N-(2-ethoxyphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
CID 52905906
N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 50841164
N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905973
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 19517134
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
2-[[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]methyl]prop-2-enoic acid
CID 166356607
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 133404758
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (CID 52905928) is N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is CCOc1ccc(NC(=O)Cn2cc(-c3ccc(C)cc3)c(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The InChIKey is ZSJVAGVNHUFPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-31-21-10-8-20(9-11-21)25-23(29)17-28-16-22(19-6-4-18(2)5-7-19)24(26-28)27-12-14-30-15-13-27/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 52905928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).