N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide

C27H29N5O3 — CID 55354818

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 55354818) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 55354818
• Molecular Formula: C27H29N5O3
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.23
• IUPAC Name: N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: CC(C)(C)c1cc(NC(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)n(-c2ccccc2)n1
• InChI: InChI=1S/C27H29N5O3/c1-26(2,3)21-15-22(32(30-21)20-11-5-4-6-12-20)28-23(33)17-31-24(34)27(29-25(31)35)14-13-18-9-7-8-10-19(18)16-27/h4-12,15H,13-14,16-17H2,1-3H3,(H,28,33)(H,29,35)
• InChIKey: BSPSGGKSEIIILE-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide (CID 55354818) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide is CC(C)(C)c1cc(NC(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)n(-c2ccccc2)n1.

What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is BSPSGGKSEIIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-26(2,3)21-15-22(32(30-21)20-11-5-4-6-12-20)28-23(33)17-31-24(34)27(29-25(31)35)14-13-18-9-7-8-10-19(18)16-27/h4-12,15H,13-14,16-17H2,1-3H3,(H,28,33)(H,29,35).

What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 471.56 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 55354818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).