N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide

C₁₈H₁₂Cl₂N₄O — CID 155063425

About N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide

N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide (PubChem CID 155063425) has the molecular formula C₁₈H₁₂Cl₂N₄O and a molecular weight of 371.23 g/mol. Its IUPAC name is N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide
• PubChem CID: 155063425
• Molecular Formula: C₁₈H₁₂Cl₂N₄O
• Molecular Weight: 371.23 g/mol
• Exact Mass: 370.04
• IUPAC Name: N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide
• SMILES: N#Cc1cnn(-c2ccc(NC(=O)Cc3cc(Cl)ccc3Cl)cc2)c1
• InChI: InChI=1S/C18H12Cl2N4O/c19-14-1-6-17(20)13(7-14)8-18(25)23-15-2-4-16(5-3-15)24-11-12(9-21)10-22-24/h1-7,10-11H,8H2,(H,23,25)
• InChIKey: AKYXMJSQXNUPIO-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 70.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.23
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide?

The IUPAC name of N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide (CID 155063425) is N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide.

What is the SMILES notation for N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide?

The canonical SMILES for N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide is N#Cc1cnn(-c2ccc(NC(=O)Cc3cc(Cl)ccc3Cl)cc2)c1.

What is the InChIKey of N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide?

The InChIKey is AKYXMJSQXNUPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c19-14-1-6-17(20)13(7-14)8-18(25)23-15-2-4-16(5-3-15)24-11-12(9-21)10-22-24/h1-7,10-11H,8H2,(H,23,25).

What are the key properties of N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide?

N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide has a molecular weight of 371.23 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 155063425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155063425 — identifiers, structure, computed properties (public domain)

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