N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide

C27H29N5O3 — CID 24547760

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide (PubChem CID 24547760) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide.

Molecular Properties

• Compound Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
• PubChem CID: 24547760
• Molecular Formula: C27H29N5O3
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.23
• IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
• SMILES: Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
• InChI: InChI=1S/C27H29N5O3/c1-18-22(19(2)32(29-18)21-12-5-4-6-13-21)16-30(3)24(33)17-31-25(34)27(28-26(31)35)15-9-11-20-10-7-8-14-23(20)27/h4-8,10,12-14H,9,11,15-17H2,1-3H3,(H,28,35)
• InChIKey: IHVNJGMIZVHVMI-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
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-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide?

The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide (CID 24547760) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide.

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

The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O.

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

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

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide has a molecular weight of 471.56 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide is sourced from PubChem (CID 24547760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).