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

C19H33N5O3Si — CID 140817036

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

N-(1-hydroxypropan-2-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 140817036) has the molecular formula C19H33N5O3Si and a molecular weight of 407.59 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(1-hydroxypropan-2-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• PubChem CID: 140817036
• Molecular Formula: C19H33N5O3Si
• Molecular Weight: 407.59 g/mol
• Exact Mass: 407.24
• IUPAC Name: N-(1-hydroxypropan-2-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• SMILES: CC(CO)NC(=O)N1Cc2c(NC(=O)C3([Si](C)(C)C)CCC3)n[nH]c2C1(C)C
• InChI: InChI=1S/C19H33N5O3Si/c1-12(11-25)20-17(27)24-10-13-14(18(24,2)3)22-23-15(13)21-16(26)19(8-7-9-19)28(4,5)6/h12,25H,7-11H2,1-6H3,(H,20,27)(H2,21,22,23,26)
• InChIKey: WXZUZRJWAOXJKD-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 110.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.59
LogP ≤ 5	2.75
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-(1-hydroxypropan-2-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The IUPAC name of N-(1-hydroxypropan-2-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 140817036) is N-(1-hydroxypropan-2-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

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

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

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

The InChIKey is WXZUZRJWAOXJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3Si/c1-12(11-25)20-17(27)24-10-13-14(18(24,2)3)22-23-15(13)21-16(26)19(8-7-9-19)28(4,5)6/h12,25H,7-11H2,1-6H3,(H,20,27)(H2,21,22,23,26).

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

N-(1-hydroxypropan-2-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 407.59 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-hydroxypropan-2-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 140817036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).