1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione

C15H13Cl2N3O2 — CID 3367012

IUPAC1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)n1
InChIInChI=1S/C15H13Cl2N3O2/c1-8-5-9(2)20(18-8)13-7-14(21)19(15(13)22)10-3-4-11(16)12(17)6-10/h3-6,13H,7H2,1-2H3
InChIKeyLWIPZUCGWLUWQO-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.31
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione

1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (PubChem CID 3367012) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
PubChem CID3367012
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)n1
InChIInChI=1S/C15H13Cl2N3O2/c1-8-5-9(2)20(18-8)13-7-14(21)19(15(13)22)10-3-4-11(16)12(17)6-10/h3-6,13H,7H2,1-2H3
InChIKeyLWIPZUCGWLUWQO-UHFFFAOYSA-N
XLogP3.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.31
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-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione (CID 3367012) is 1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is Cc1cc(C)n(C2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is LWIPZUCGWLUWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c1-8-5-9(2)20(18-8)13-7-14(21)19(15(13)22)10-3-4-11(16)12(17)6-10/h3-6,13H,7H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione?
1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione has a molecular weight of 338.19 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3367012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).