1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione

C17H19N3O2 — CID 5104249

IUPAC1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(n3nc(C)cc3C)C2=O)c1
InChIInChI=1S/C17H19N3O2/c1-10-5-11(2)7-14(6-10)19-16(21)9-15(17(19)22)20-13(4)8-12(3)18-20/h5-8,15H,9H2,1-4H3
InChIKeyBYVAJCFCGNOIFP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.62
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione

1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (PubChem CID 5104249) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
PubChem CID5104249
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(n3nc(C)cc3C)C2=O)c1
InChIInChI=1S/C17H19N3O2/c1-10-5-11(2)7-14(6-10)19-16(21)9-15(17(19)22)20-13(4)8-12(3)18-20/h5-8,15H,9H2,1-4H3
InChIKeyBYVAJCFCGNOIFP-UHFFFAOYSA-N
XLogP2.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (CID 5104249) is 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is Cc1cc(C)cc(N2C(=O)CC(n3nc(C)cc3C)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is BYVAJCFCGNOIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10-5-11(2)7-14(6-10)19-16(21)9-15(17(19)22)20-13(4)8-12(3)18-20/h5-8,15H,9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione has a molecular weight of 297.36 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 5104249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).