2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C21H21N3O3 — CID 18122041

IUPAC2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C21H21N3O3/c1-14-21(15(2)24(23-14)18-7-5-4-6-8-18)22-20(26)13-27-19-11-9-17(10-12-19)16(3)25/h4-12H,13H2,1-3H3,(H,22,26)
InChIKeyWFNLTHSGAAWJAW-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.71
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 18122041) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID18122041
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C21H21N3O3/c1-14-21(15(2)24(23-14)18-7-5-4-6-8-18)22-20(26)13-27-19-11-9-17(10-12-19)16(3)25/h4-12H,13H2,1-3H3,(H,22,26)
InChIKeyWFNLTHSGAAWJAW-UHFFFAOYSA-N
XLogP3.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 18122041) is 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is CC(=O)c1ccc(OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is WFNLTHSGAAWJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-21(15(2)24(23-14)18-7-5-4-6-8-18)22-20(26)13-27-19-11-9-17(10-12-19)16(3)25/h4-12H,13H2,1-3H3,(H,22,26).
What are the key properties of 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 18122041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).