N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide

C24H23N5O4 — CID 41105061

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 41105061) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
• PubChem CID: 41105061
• Molecular Formula: C24H23N5O4
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.18
• IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
• SMILES: Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O
• InChI: InChI=1S/C24H23N5O4/c1-15-21(16(2)29(27-15)17-8-4-3-5-9-17)25-20(30)14-28-22(31)24(26-23(28)32)12-13-33-19-11-7-6-10-18(19)24/h3-11H,12-14H2,1-2H3,(H,25,30)(H,26,32)/t24-/m0/s1
• InChIKey: VLCVSBBZNWKCNK-DEOSSOPVSA-N
• XLogP: 2.66
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	2.66
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)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?

The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide (CID 41105061) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide.

What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?

The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O.

What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?

The InChIKey is VLCVSBBZNWKCNK-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15-21(16(2)29(27-15)17-8-4-3-5-9-17)25-20(30)14-28-22(31)24(26-23(28)32)12-13-33-19-11-7-6-10-18(19)24/h3-11H,12-14H2,1-2H3,(H,25,30)(H,26,32)/t24-/m0/s1.

What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 2.66, 4 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)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 41105061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).