5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C30H25N3O3 — CID 43857135

About 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43857135) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

• Compound Name: 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• PubChem CID: 43857135
• Molecular Formula: C30H25N3O3
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.19
• IUPAC Name: 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• SMILES: Cc1ccc(-c2n[nH]c3c2C(c2ccc(OCc4ccccc4)cc2)N(Cc2ccco2)C3=O)cc1
• InChI: InChI=1S/C30H25N3O3/c1-20-9-11-22(12-10-20)27-26-28(32-31-27)30(34)33(18-25-8-5-17-35-25)29(26)23-13-15-24(16-14-23)36-19-21-6-3-2-4-7-21/h2-17,29H,18-19H2,1H3,(H,31,32)
• InChIKey: QUOKVGPTTSREFT-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 71.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The IUPAC name of 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43857135) is 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

What is the SMILES notation for 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The canonical SMILES for 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is Cc1ccc(-c2n[nH]c3c2C(c2ccc(OCc4ccccc4)cc2)N(Cc2ccco2)C3=O)cc1.

What is the InChIKey of 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The InChIKey is QUOKVGPTTSREFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3/c1-20-9-11-22(12-10-20)27-26-28(32-31-27)30(34)33(18-25-8-5-17-35-25)29(26)23-13-15-24(16-14-23)36-19-21-6-3-2-4-7-21/h2-17,29H,18-19H2,1H3,(H,31,32).

What are the key properties of 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 475.55 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43857135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).