3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

C20H17N3O3 — CID 3776555

IUPAC3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SMILESCC(=O)C1=NN(c2ccccc2)C2C(=O)N(c3ccc(C)cc3)C(=O)C12
InChIInChI=1S/C20H17N3O3/c1-12-8-10-14(11-9-12)22-19(25)16-17(13(2)24)21-23(18(16)20(22)26)15-6-4-3-5-7-15/h3-11,16,18H,1-2H3
InChIKeyZVPGHYWQDHCPMA-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.32
Rot. Bonds3

About 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione (PubChem CID 3776555) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione.

Molecular Properties

Compound Name3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
PubChem CID3776555
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SMILESCC(=O)C1=NN(c2ccccc2)C2C(=O)N(c3ccc(C)cc3)C(=O)C12
InChIInChI=1S/C20H17N3O3/c1-12-8-10-14(11-9-12)22-19(25)16-17(13(2)24)21-23(18(16)20(22)26)15-6-4-3-5-7-15/h3-11,16,18H,1-2H3
InChIKeyZVPGHYWQDHCPMA-UHFFFAOYSA-N
XLogP2.32
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
CID 2900872
(3aR,6aR)-1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
CID 5286188
(3aS,6aS)-3-Diphenylacetyl-5-p-tolyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
CID 12004497
1-Benzyl-3-[4-(dimethylamino)phenyl]-5-methyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
CID 16194851
(1R,2S,6R,7S)-4-(4-methylphenyl)-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide
CID 11906735
1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
CID 5071313
3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
CID 2901205
5-(4-methylphenyl)-1-phenyl-3-(phenylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
CID 3837555
5-(4-ethylphenyl)-1-(3-fluoro-4-methylphenyl)-1,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(3aH,5H)-dione
CID 44117501
5-(3-fluoro-4-methylphenyl)-1-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
CID 44117519
1-(3-Fluorophenyl)-5-(4-methylphenyl)-1H,3AH,4H,5H,6H,6AH-pyrrolo[3,4-D][1,2,3]triazole-4,6-dione
CID 46377129
1-(3-fluoro-4-methylphenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
CID 49659188

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
The IUPAC name of 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione (CID 3776555) is 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione.
What is the SMILES notation for 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
The canonical SMILES for 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione is CC(=O)C1=NN(c2ccccc2)C2C(=O)N(c3ccc(C)cc3)C(=O)C12.
What is the InChIKey of 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
The InChIKey is ZVPGHYWQDHCPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-8-10-14(11-9-12)22-19(25)16-17(13(2)24)21-23(18(16)20(22)26)15-6-4-3-5-7-15/h3-11,16,18H,1-2H3.
What are the key properties of 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione has a molecular weight of 347.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione is sourced from PubChem (CID 3776555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).