N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C28H27N5O4 — CID 41105576

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 41105576) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 41105576
• Molecular Formula: C28H27N5O4
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.21
• IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4c(C)nn(-c5ccccc5)c4C)C3=O)ccc2c1
• InChI: InChI=1S/C28H27N5O4/c1-17-25(18(2)33(31-17)22-8-6-5-7-9-22)29-24(34)16-32-26(35)28(3,30-27(32)36)21-12-10-20-15-23(37-4)13-11-19(20)14-21/h5-15H,16H2,1-4H3,(H,29,34)(H,30,36)/t28-/m0/s1
• InChIKey: FEKRTHKLFMTYBD-NDEPHWFRSA-N
• XLogP: 4.06
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 41105576) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4c(C)nn(-c5ccccc5)c4C)C3=O)ccc2c1.

What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is FEKRTHKLFMTYBD-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-17-25(18(2)33(31-17)22-8-6-5-7-9-22)29-24(34)16-32-26(35)28(3,30-27(32)36)21-12-10-20-15-23(37-4)13-11-19(20)14-21/h5-15H,16H2,1-4H3,(H,29,34)(H,30,36)/t28-/m0/s1.

What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 497.56 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41105576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).