(4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C24H27N3O4 — CID 2032771

About (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

(4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 2032771) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

• Compound Name: (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• PubChem CID: 2032771
• Molecular Formula: C24H27N3O4
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.20
• IUPAC Name: (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• SMILES: COc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)c1
• InChI: InChI=1S/C24H27N3O4/c1-15(2)31-13-7-12-27-23(16-8-6-9-17(14-16)30-3)20-21(25-26-22(20)24(27)29)18-10-4-5-11-19(18)28/h4-6,8-11,14-15,23,28H,7,12-13H2,1-3H3,(H,25,26)/t23-/m1/s1
• InChIKey: CXPZLKFGVCNWQT-HSZRJFAPSA-N
• XLogP: 4.15
• TPSA: 87.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The IUPAC name of (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 2032771) is (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

What is the SMILES notation for (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The canonical SMILES for (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)c1.

What is the InChIKey of (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The InChIKey is CXPZLKFGVCNWQT-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15(2)31-13-7-12-27-23(16-8-6-9-17(14-16)30-3)20-21(25-26-22(20)24(27)29)18-10-4-5-11-19(18)28/h4-6,8-11,14-15,23,28H,7,12-13H2,1-3H3,(H,25,26)/t23-/m1/s1.

What are the key properties of (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

(4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 421.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 2032771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).