2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide

C26H23N3O3 — CID 24606878

IUPAC2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H23N3O3/c1-19(30)20-12-14-24(15-13-20)32-18-25(31)27-16-22-17-29(23-10-6-3-7-11-23)28-26(22)21-8-4-2-5-9-21/h2-15,17H,16,18H2,1H3,(H,27,31)
InChIKeyXQQGDFFEGURKAU-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.44
Rot. Bonds8

About 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide

2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide (PubChem CID 24606878) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
PubChem CID24606878
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H23N3O3/c1-19(30)20-12-14-24(15-13-20)32-18-25(31)27-16-22-17-29(23-10-6-3-7-11-23)28-26(22)21-8-4-2-5-9-21/h2-15,17H,16,18H2,1H3,(H,27,31)
InChIKeyXQQGDFFEGURKAU-UHFFFAOYSA-N
XLogP4.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504128
2-(5-acetyl-2-methoxyphenyl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504119
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 32939739
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751
4-[4-[(4-methoxyanilino)methyl]-3-phenylpyrazol-1-yl]benzoic acid
CID 155808729
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033289
2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylamino]propanoic acid
CID 120913301
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
CID 19520601

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide (CID 24606878) is 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide is CC(=O)c1ccc(OCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is XQQGDFFEGURKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-19(30)20-12-14-24(15-13-20)32-18-25(31)27-16-22-17-29(23-10-6-3-7-11-23)28-26(22)21-8-4-2-5-9-21/h2-15,17H,16,18H2,1H3,(H,27,31).
What are the key properties of 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide?
2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 24606878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).