N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide

C24H19N3O3 — CID 2079168

IUPACN-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)Nc1ccccc1
InChIInChI=1S/C24H19N3O3/c28-23(26-19-9-3-1-4-10-19)17-30-22-14-8-7-13-21(22)24(29)18-15-25-27(16-18)20-11-5-2-6-12-20/h1-16H,17H2,(H,26,28)
InChIKeyUUCCYUUQXJPDAA-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.12
Rot. Bonds7

About N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide

N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide (PubChem CID 2079168) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
PubChem CID2079168
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)Nc1ccccc1
InChIInChI=1S/C24H19N3O3/c28-23(26-19-9-3-1-4-10-19)17-30-22-14-8-7-13-21(22)24(29)18-15-25-27(16-18)20-11-5-2-6-12-20/h1-16H,17H2,(H,26,28)
InChIKeyUUCCYUUQXJPDAA-UHFFFAOYSA-N
XLogP4.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
The IUPAC name of N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide (CID 2079168) is N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide.
What is the SMILES notation for N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
The canonical SMILES for N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide is O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
The InChIKey is UUCCYUUQXJPDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-23(26-19-9-3-1-4-10-19)17-30-22-14-8-7-13-21(22)24(29)18-15-25-27(16-18)20-11-5-2-6-12-20/h1-16H,17H2,(H,26,28).
What are the key properties of N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide has a molecular weight of 397.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 2079168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).