3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

C24H17N3O3 — CID 2901205

IUPAC3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SMILESO=C(C1=NN(c2ccccc2)C2C(=O)N(c3ccccc3)C(=O)C12)c1ccccc1
InChIInChI=1S/C24H17N3O3/c28-22(16-10-4-1-5-11-16)20-19-21(27(25-20)18-14-8-3-9-15-18)24(30)26(23(19)29)17-12-6-2-7-13-17/h1-15,19,21H
InChIKeyLLBJGSNZMIRERE-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.30
Rot. Bonds4

About 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione (PubChem CID 2901205) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione.

Molecular Properties

Compound Name3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
PubChem CID2901205
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SMILESO=C(C1=NN(c2ccccc2)C2C(=O)N(c3ccccc3)C(=O)C12)c1ccccc1
InChIInChI=1S/C24H17N3O3/c28-22(16-10-4-1-5-11-16)20-19-21(27(25-20)18-14-8-3-9-15-18)24(30)26(23(19)29)17-12-6-2-7-13-17/h1-15,19,21H
InChIKeyLLBJGSNZMIRERE-UHFFFAOYSA-N
XLogP3.30
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
The IUPAC name of 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione (CID 2901205) is 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione.
What is the SMILES notation for 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
The canonical SMILES for 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione is O=C(C1=NN(c2ccccc2)C2C(=O)N(c3ccccc3)C(=O)C12)c1ccccc1.
What is the InChIKey of 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
The InChIKey is LLBJGSNZMIRERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-22(16-10-4-1-5-11-16)20-19-21(27(25-20)18-14-8-3-9-15-18)24(30)26(23(19)29)17-12-6-2-7-13-17/h1-15,19,21H.
What are the key properties of 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione has a molecular weight of 395.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione is sourced from PubChem (CID 2901205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).