5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C23H19N3O2S — CID 43856063

About 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43856063) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

• Compound Name: 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• PubChem CID: 43856063
• Molecular Formula: C23H19N3O2S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.12
• IUPAC Name: 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• SMILES: COc1ccc(CN2C(=O)c3[nH]nc(-c4ccccc4)c3C2c2cccs2)cc1
• InChI: InChI=1S/C23H19N3O2S/c1-28-17-11-9-15(10-12-17)14-26-22(18-8-5-13-29-18)19-20(16-6-3-2-4-7-16)24-25-21(19)23(26)27/h2-13,22H,14H2,1H3,(H,24,25)
• InChIKey: LZZFZEHCZCRCDK-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43856063) is 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(CN2C(=O)c3[nH]nc(-c4ccccc4)c3C2c2cccs2)cc1.

What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The InChIKey is LZZFZEHCZCRCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-28-17-11-9-15(10-12-17)14-26-22(18-8-5-13-29-18)19-20(16-6-3-2-4-7-16)24-25-21(19)23(26)27/h2-13,22H,14H2,1H3,(H,24,25).

What are the key properties of 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 401.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43856063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).