2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide

C24H18N4O2 — CID 4781731

IUPAC2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H18N4O2/c25-16-18-11-13-21(14-12-18)30-17-24(29)26-23-15-22(19-7-3-1-4-8-19)27-28(23)20-9-5-2-6-10-20/h1-15H,17H2,(H,26,29)
InChIKeyGDOUUXXUFFBSGT-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.43
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide

2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide (PubChem CID 4781731) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide
PubChem CID4781731
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H18N4O2/c25-16-18-11-13-21(14-12-18)30-17-24(29)26-23-15-22(19-7-3-1-4-8-19)27-28(23)20-9-5-2-6-10-20/h1-15H,17H2,(H,26,29)
InChIKeyGDOUUXXUFFBSGT-UHFFFAOYSA-N
XLogP4.43
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide (CID 4781731) is 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide is N#Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The InChIKey is GDOUUXXUFFBSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c25-16-18-11-13-21(14-12-18)30-17-24(29)26-23-15-22(19-7-3-1-4-8-19)27-28(23)20-9-5-2-6-10-20/h1-15H,17H2,(H,26,29).
What are the key properties of 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide?
2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(1,3-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 4781731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).