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

C13H11N3O2 — CID 2811961

IUPAC2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)n(C)n1
InChIInChI=1S/C13H11N3O2/c1-8-7-11(15(2)14-8)16-12(17)9-5-3-4-6-10(9)13(16)18/h3-7H,1-2H3
InChIKeyXEAXUGRNFCLIHJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.53
Rot. Bonds1

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

2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione (PubChem CID 2811961) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione
PubChem CID2811961
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)n(C)n1
InChIInChI=1S/C13H11N3O2/c1-8-7-11(15(2)14-8)16-12(17)9-5-3-4-6-10(9)13(16)18/h3-7H,1-2H3
InChIKeyXEAXUGRNFCLIHJ-UHFFFAOYSA-N
XLogP1.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.53
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 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione (CID 2811961) is 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione is Cc1cc(N2C(=O)c3ccccc3C2=O)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione?
The InChIKey is XEAXUGRNFCLIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-7-11(15(2)14-8)16-12(17)9-5-3-4-6-10(9)13(16)18/h3-7H,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione?
2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione has a molecular weight of 241.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 2811961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).