2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide

C26H23N3O3 — CID 91313948

IUPAC2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide
SMILESCOc1cccc(C=CNC(=O)COc2n[nH]c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C26H23N3O3/c1-31-22-14-8-9-19(17-22)15-16-27-23(30)18-32-26-24(20-10-4-2-5-11-20)25(28-29-26)21-12-6-3-7-13-21/h2-17H,18H2,1H3,(H,27,30)(H,28,29)
InChIKeyBVXFKPZSOMTQGH-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.92
Rot. Bonds8

About 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide

2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide (PubChem CID 91313948) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide
PubChem CID91313948
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide
SMILESCOc1cccc(C=CNC(=O)COc2n[nH]c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C26H23N3O3/c1-31-22-14-8-9-19(17-22)15-16-27-23(30)18-32-26-24(20-10-4-2-5-11-20)25(28-29-26)21-12-6-3-7-13-21/h2-17H,18H2,1H3,(H,27,30)(H,28,29)
InChIKeyBVXFKPZSOMTQGH-UHFFFAOYSA-N
XLogP4.92
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
CID 108906032
2-methoxy-N-(2-phenylethenyl)acetamide
CID 174718522
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
N-[2-(3a,7a-dihydroindol-3-ylidene)ethyl]-2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]acetamide
CID 91176598
1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905907
1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905741
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108906013
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108905995
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide?
The IUPAC name of 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide (CID 91313948) is 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide is COc1cccc(C=CNC(=O)COc2n[nH]c(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide?
The InChIKey is BVXFKPZSOMTQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-31-22-14-8-9-19(17-22)15-16-27-23(30)18-32-26-24(20-10-4-2-5-11-20)25(28-29-26)21-12-6-3-7-13-21/h2-17H,18H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide?
2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-[2-(3-methoxyphenyl)ethenyl]acetamide is sourced from PubChem (CID 91313948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).