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

C25H21N3O2 — CID 90793661

IUPAC2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide
SMILESO=C(COc1n[nH]c(-c2ccccc2)c1-c1ccccc1)NC=Cc1ccccc1
InChIInChI=1S/C25H21N3O2/c29-22(26-17-16-19-10-4-1-5-11-19)18-30-25-23(20-12-6-2-7-13-20)24(27-28-25)21-14-8-3-9-15-21/h1-17H,18H2,(H,26,29)(H,27,28)
InChIKeyODFQFHQOTFUCBJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.91
Rot. Bonds7

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

2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide (PubChem CID 90793661) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide
PubChem CID90793661
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide
SMILESO=C(COc1n[nH]c(-c2ccccc2)c1-c1ccccc1)NC=Cc1ccccc1
InChIInChI=1S/C25H21N3O2/c29-22(26-17-16-19-10-4-1-5-11-19)18-30-25-23(20-12-6-2-7-13-20)24(27-28-25)21-14-8-3-9-15-21/h1-17H,18H2,(H,26,29)(H,27,28)
InChIKeyODFQFHQOTFUCBJ-UHFFFAOYSA-N
XLogP4.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide?
The IUPAC name of 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide (CID 90793661) is 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide is O=C(COc1n[nH]c(-c2ccccc2)c1-c1ccccc1)NC=Cc1ccccc1.
What is the InChIKey of 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide?
The InChIKey is ODFQFHQOTFUCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-22(26-17-16-19-10-4-1-5-11-19)18-30-25-23(20-12-6-2-7-13-20)24(27-28-25)21-14-8-3-9-15-21/h1-17H,18H2,(H,26,29)(H,27,28).
What are the key properties of 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide?
2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]-N-(2-phenylethenyl)acetamide is sourced from PubChem (CID 90793661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).