4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one

About 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one

4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one (PubChem CID 143510190) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name	4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one
PubChem CID	143510190
Molecular Formula	C26H28N6O4
Molecular Weight	488.55 g/mol
Exact Mass	488.22
IUPAC Name	4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one
SMILES	CC.COc1ccc2c(c1)C(=O)N(C)C2.Cn1cc(-c2ccc(C3NC(=O)NC3=O)cc2)c(C#N)n1
InChI	InChI=1S/C14H11N5O2.C10H11NO2.C2H6/c1-19-7-10(11(6-15)18-19)8-2-4-9(5-3-8)12-13(20)17-14(21)16-12;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12;1-2/h2-5,7,12H,1H3,(H2,16,17,20,21);3-5H,6H2,1-2H3;1-2H3
InChIKey	QCWSGILZCQHQQF-UHFFFAOYSA-N
XLogP	3.15
TPSA	129.35 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one?

The IUPAC name of 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one (CID 143510190) is 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one.

What is the SMILES notation for 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one?

The canonical SMILES for 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one is CC.COc1ccc2c(c1)C(=O)N(C)C2.Cn1cc(-c2ccc(C3NC(=O)NC3=O)cc2)c(C#N)n1.

What is the InChIKey of 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one?

The InChIKey is QCWSGILZCQHQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2.C10H11NO2.C2H6/c1-19-7-10(11(6-15)18-19)8-2-4-9(5-3-8)12-13(20)17-14(21)16-12;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12;1-2/h2-5,7,12H,1H3,(H2,16,17,20,21);3-5H,6H2,1-2H3;1-2H3.

What are the key properties of 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one?

4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one has a molecular weight of 488.55 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 143510190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).