ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate

C18H32N4O3Si — CID 140817019

About ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate

ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate (PubChem CID 140817019) has the molecular formula C18H32N4O3Si and a molecular weight of 380.57 g/mol. Its IUPAC name is ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate
• PubChem CID: 140817019
• Molecular Formula: C18H32N4O3Si
• Molecular Weight: 380.57 g/mol
• Exact Mass: 380.22
• IUPAC Name: ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate
• SMILES: CCOC(=O)n1nc(NC(=O)C(C)(C)[Si](C)(C)CC)c2c1C(C)(C)NC2
• InChI: InChI=1S/C18H32N4O3Si/c1-9-25-16(24)22-13-12(11-19-17(13,3)4)14(21-22)20-15(23)18(5,6)26(7,8)10-2/h19H,9-11H2,1-8H3,(H,20,21,23)
• InChIKey: VAXMLBYYHSRKAY-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.57
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate?

The IUPAC name of ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate (CID 140817019) is ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate.

What is the SMILES notation for ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate?

The canonical SMILES for ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate is CCOC(=O)n1nc(NC(=O)C(C)(C)[Si](C)(C)CC)c2c1C(C)(C)NC2.

What is the InChIKey of ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate?

The InChIKey is VAXMLBYYHSRKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3Si/c1-9-25-16(24)22-13-12(11-19-17(13,3)4)14(21-22)20-15(23)18(5,6)26(7,8)10-2/h19H,9-11H2,1-8H3,(H,20,21,23).

What are the key properties of ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate?

ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate has a molecular weight of 380.57 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[[2-[ethyl(dimethyl)silyl]-2-methylpropanoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate is sourced from PubChem (CID 140817019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).