4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

C20H19N3O3 — CID 20854716

IUPAC4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCCOc1ccc(C2NC(=O)c3[nH]nc(-c4ccc(OC)cc4)c32)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-15-10-6-12(7-11-15)17-16-18(22-23-19(16)20(24)21-17)13-4-8-14(25-2)9-5-13/h4-11,17H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySGUILMVJEXZFLX-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.32
Rot. Bonds5

About 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 20854716) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID20854716
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCCOc1ccc(C2NC(=O)c3[nH]nc(-c4ccc(OC)cc4)c32)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-15-10-6-12(7-11-15)17-16-18(22-23-19(16)20(24)21-17)13-4-8-14(25-2)9-5-13/h4-11,17H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySGUILMVJEXZFLX-UHFFFAOYSA-N
XLogP3.32
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (CID 20854716) is 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is CCOc1ccc(C2NC(=O)c3[nH]nc(-c4ccc(OC)cc4)c32)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is SGUILMVJEXZFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-15-10-6-12(7-11-15)17-16-18(22-23-19(16)20(24)21-17)13-4-8-14(25-2)9-5-13/h4-11,17H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 349.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 20854716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).