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

C15H14ClN3O2 — CID 2841010

IUPAC1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3cccc(Cl)c3)C2=O)n1
InChIInChI=1S/C15H14ClN3O2/c1-9-6-10(2)19(17-9)13-8-14(20)18(15(13)21)12-5-3-4-11(16)7-12/h3-7,13H,8H2,1-2H3
InChIKeyUHXFPXLQLHYWGL-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.66
Rot. Bonds2

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

1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (PubChem CID 2841010) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
PubChem CID2841010
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3cccc(Cl)c3)C2=O)n1
InChIInChI=1S/C15H14ClN3O2/c1-9-6-10(2)19(17-9)13-8-14(20)18(15(13)21)12-5-3-4-11(16)7-12/h3-7,13H,8H2,1-2H3
InChIKeyUHXFPXLQLHYWGL-UHFFFAOYSA-N
XLogP2.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)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 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (CID 2841010) is 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is Cc1cc(C)n(C2CC(=O)N(c3cccc(Cl)c3)C2=O)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is UHXFPXLQLHYWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-6-10(2)19(17-9)13-8-14(20)18(15(13)21)12-5-3-4-11(16)7-12/h3-7,13H,8H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione has a molecular weight of 303.75 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2841010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).