3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione

C15H15N3O2 — CID 2835927

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3ccccc3)C2=O)n1
InChIInChI=1S/C15H15N3O2/c1-10-8-11(2)18(16-10)13-9-14(19)17(15(13)20)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3
InChIKeyYTHZTIGRJHDPIL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.00
Rot. Bonds2

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

3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 2835927) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID2835927
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3ccccc3)C2=O)n1
InChIInChI=1S/C15H15N3O2/c1-10-8-11(2)18(16-10)13-9-14(19)17(15(13)20)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3
InChIKeyYTHZTIGRJHDPIL-UHFFFAOYSA-N
XLogP2.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.00
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)-1-phenylpyrrolidine-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)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione (CID 2835927) is 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione is Cc1cc(C)n(C2CC(=O)N(c3ccccc3)C2=O)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is YTHZTIGRJHDPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-8-11(2)18(16-10)13-9-14(19)17(15(13)20)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione?
3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 2.00, 2 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)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2835927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).