N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide

C36H36N4O2 — CID 5107189

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide (PubChem CID 5107189) has the molecular formula C36H36N4O2 and a molecular weight of 556.71 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
• PubChem CID: 5107189
• Molecular Formula: C36H36N4O2
• Molecular Weight: 556.71 g/mol
• Exact Mass: 556.28
• IUPAC Name: N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
• SMILES: CCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H36N4O2/c1-2-3-16-25-39(36(42)35(29-19-10-5-11-20-29)30-21-12-6-13-22-30)27-34(41)37-33-26-32(28-17-8-4-9-18-28)38-40(33)31-23-14-7-15-24-31/h4-15,17-24,26,35H,2-3,16,25,27H2,1H3,(H,37,41)
• InChIKey: GCXNOIQDJJXAHJ-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.71
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide?

The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide (CID 5107189) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide.

What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide?

The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide is CCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide?

The InChIKey is GCXNOIQDJJXAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4O2/c1-2-3-16-25-39(36(42)35(29-19-10-5-11-20-29)30-21-12-6-13-22-30)27-34(41)37-33-26-32(28-17-8-4-9-18-28)38-40(33)31-23-14-7-15-24-31/h4-15,17-24,26,35H,2-3,16,25,27H2,1H3,(H,37,41).

What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide?

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide has a molecular weight of 556.71 g/mol, XLogP of 7.33, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide is sourced from PubChem (CID 5107189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).