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

C15H15N3O4 — CID 19589907

IUPAC2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(c1cn(C)nc1C)C2=O
InChIInChI=1S/C15H15N3O4/c1-8-10(7-17(2)16-8)18-14(19)9-5-6-11(21-3)13(22-4)12(9)15(18)20/h5-7H,1-4H3
InChIKeyZZYFHTHTIQUVIK-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.55
Rot. Bonds3

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

2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione (PubChem CID 19589907) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione
PubChem CID19589907
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(c1cn(C)nc1C)C2=O
InChIInChI=1S/C15H15N3O4/c1-8-10(7-17(2)16-8)18-14(19)9-5-6-11(21-3)13(22-4)12(9)15(18)20/h5-7H,1-4H3
InChIKeyZZYFHTHTIQUVIK-UHFFFAOYSA-N
XLogP1.55
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione (CID 19589907) is 2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione is COc1ccc2c(c1OC)C(=O)N(c1cn(C)nc1C)C2=O.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione?
The InChIKey is ZZYFHTHTIQUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-8-10(7-17(2)16-8)18-14(19)9-5-6-11(21-3)13(22-4)12(9)15(18)20/h5-7H,1-4H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione?
2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione has a molecular weight of 301.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione is sourced from PubChem (CID 19589907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).