2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide

C24H23N5O4 — CID 39903279

IUPAC2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
SMILESCc1cc(C)c(-c2cc(NC(=O)CN3C(=O)C(=O)N(C)C3=O)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C24H23N5O4/c1-14-10-16(3)18(11-15(14)2)19-12-20(29(26-19)17-8-6-5-7-9-17)25-21(30)13-28-23(32)22(31)27(4)24(28)33/h5-12H,13H2,1-4H3,(H,25,30)
InChIKeyUFFWUNIWBZZGGZ-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.82
Rot. Bonds5

About 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide

2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide (PubChem CID 39903279) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
PubChem CID39903279
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
SMILESCc1cc(C)c(-c2cc(NC(=O)CN3C(=O)C(=O)N(C)C3=O)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C24H23N5O4/c1-14-10-16(3)18(11-15(14)2)19-12-20(29(26-19)17-8-6-5-7-9-17)25-21(30)13-28-23(32)22(31)27(4)24(28)33/h5-12H,13H2,1-4H3,(H,25,30)
InChIKeyUFFWUNIWBZZGGZ-UHFFFAOYSA-N
XLogP2.82
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide (CID 39903279) is 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide is Cc1cc(C)c(-c2cc(NC(=O)CN3C(=O)C(=O)N(C)C3=O)n(-c3ccccc3)n2)cc1C.
What is the InChIKey of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide?
The InChIKey is UFFWUNIWBZZGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-14-10-16(3)18(11-15(14)2)19-12-20(29(26-19)17-8-6-5-7-9-17)25-21(30)13-28-23(32)22(31)27(4)24(28)33/h5-12H,13H2,1-4H3,(H,25,30).
What are the key properties of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide?
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 39903279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).