N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C24H35N5O3Si — CID 140817031

About N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 140817031) has the molecular formula C24H35N5O3Si and a molecular weight of 469.66 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• PubChem CID: 140817031
• Molecular Formula: C24H35N5O3Si
• Molecular Weight: 469.66 g/mol
• Exact Mass: 469.25
• IUPAC Name: N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• SMILES: CC1(C)c2[nH]nc(NC(=O)C3([Si](C)(C)C)CCC3)c2CN1C(=O)NCC(O)c1ccccc1
• InChI: InChI=1S/C24H35N5O3Si/c1-23(2)19-17(15-29(23)22(32)25-14-18(30)16-10-7-6-8-11-16)20(28-27-19)26-21(31)24(12-9-13-24)33(3,4)5/h6-8,10-11,18,30H,9,12-15H2,1-5H3,(H,25,32)(H2,26,27,28,31)
• InChIKey: QIXXSXSDXUHFDJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 110.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.66
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The IUPAC name of N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 140817031) is N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is CC1(C)c2[nH]nc(NC(=O)C3([Si](C)(C)C)CCC3)c2CN1C(=O)NCC(O)c1ccccc1.

What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The InChIKey is QIXXSXSDXUHFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3Si/c1-23(2)19-17(15-29(23)22(32)25-14-18(30)16-10-7-6-8-11-16)20(28-27-19)26-21(31)24(12-9-13-24)33(3,4)5/h6-8,10-11,18,30H,9,12-15H2,1-5H3,(H,25,32)(H2,26,27,28,31).

What are the key properties of N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 469.66 g/mol, XLogP of 4.10, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 140817031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).