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

C21H37N5O3Si — CID 140817026

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

N-(2-hydroxy-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 140817026) has the molecular formula C21H37N5O3Si and a molecular weight of 435.65 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxy-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• PubChem CID: 140817026
• Molecular Formula: C21H37N5O3Si
• Molecular Weight: 435.65 g/mol
• Exact Mass: 435.27
• IUPAC Name: N-(2-hydroxy-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• SMILES: CC(C)C(O)CNC(=O)N1Cc2c(NC(=O)C3([Si](C)(C)C)CCC3)n[nH]c2C1(C)C
• InChI: InChI=1S/C21H37N5O3Si/c1-13(2)15(27)11-22-19(29)26-12-14-16(20(26,3)4)24-25-17(14)23-18(28)21(9-8-10-21)30(5,6)7/h13,15,27H,8-12H2,1-7H3,(H,22,29)(H2,23,24,25,28)
• InChIKey: NOPGWANOAVPZNO-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 110.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.65
LogP ≤ 5	3.39
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-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The IUPAC name of N-(2-hydroxy-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 140817026) is N-(2-hydroxy-3-methylbutyl)-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-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is CC(C)C(O)CNC(=O)N1Cc2c(NC(=O)C3([Si](C)(C)C)CCC3)n[nH]c2C1(C)C.

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

The InChIKey is NOPGWANOAVPZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O3Si/c1-13(2)15(27)11-22-19(29)26-12-14-16(20(26,3)4)24-25-17(14)23-18(28)21(9-8-10-21)30(5,6)7/h13,15,27H,8-12H2,1-7H3,(H,22,29)(H2,23,24,25,28).

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

N-(2-hydroxy-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 435.65 g/mol, XLogP of 3.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-3-methylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 140817026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).