3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione

C17H19N3O2 — CID 661347

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
InChIInChI=1S/C17H19N3O2/c1-11-4-6-15(7-5-11)20-16(21)9-14(17(20)22)10-19-13(3)8-12(2)18-19/h4-8,14H,9-10H2,1-3H3
InChIKeyUJAYCYZDBAMIED-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.39
Rot. Bonds3

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 661347) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID661347
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
InChIInChI=1S/C17H19N3O2/c1-11-4-6-15(7-5-11)20-16(21)9-14(17(20)22)10-19-13(3)8-12(2)18-19/h4-8,14H,9-10H2,1-3H3
InChIKeyUJAYCYZDBAMIED-UHFFFAOYSA-N
XLogP2.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 661347) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is UJAYCYZDBAMIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-4-6-15(7-5-11)20-16(21)9-14(17(20)22)10-19-13(3)8-12(2)18-19/h4-8,14H,9-10H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 297.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 661347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).