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

C22H23N3O2 — CID 136784034

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

(4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 136784034) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

• Compound Name: (4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• PubChem CID: 136784034
• Molecular Formula: C22H23N3O2
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.18
• IUPAC Name: (4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• SMILES: CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)C)cc1
• InChI: InChI=1S/C22H23N3O2/c1-4-25-21(15-11-9-14(10-12-15)13(2)3)18-19(23-24-20(18)22(25)27)16-7-5-6-8-17(16)26/h5-13,21,26H,4H2,1-3H3,(H,23,24)/t21-/m1/s1
• InChIKey: IRFDXWXDLZKXTQ-OAQYLSRUSA-N
• XLogP: 4.47
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 136784034) is (4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

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

The canonical SMILES for (4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)C)cc1.

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

The InChIKey is IRFDXWXDLZKXTQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-25-21(15-11-9-14(10-12-15)13(2)3)18-19(23-24-20(18)22(25)27)16-7-5-6-8-17(16)26/h5-13,21,26H,4H2,1-3H3,(H,23,24)/t21-/m1/s1.

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

(4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 361.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 136784034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).