N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide

C24H40N4O3Si — CID 140817121

About N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide

N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide (PubChem CID 140817121) has the molecular formula C24H40N4O3Si and a molecular weight of 460.70 g/mol. Its IUPAC name is N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide
• PubChem CID: 140817121
• Molecular Formula: C24H40N4O3Si
• Molecular Weight: 460.70 g/mol
• Exact Mass: 460.29
• IUPAC Name: N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide
• SMILES: CC(OC1CCCCC1)C(=O)N1Cc2c(NC(=O)C3([Si](C)(C)C)CCC3)n[nH]c2C1(C)C
• InChI: InChI=1S/C24H40N4O3Si/c1-16(31-17-11-8-7-9-12-17)21(29)28-15-18-19(23(28,2)3)26-27-20(18)25-22(30)24(13-10-14-24)32(4,5)6/h16-17H,7-15H2,1-6H3,(H2,25,26,27,30)
• InChIKey: FJGKMENYBHJUEZ-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.70
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
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-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?

The IUPAC name of N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide (CID 140817121) is N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide.

What is the SMILES notation for N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?

The canonical SMILES for N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide is CC(OC1CCCCC1)C(=O)N1Cc2c(NC(=O)C3([Si](C)(C)C)CCC3)n[nH]c2C1(C)C.

What is the InChIKey of N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?

The InChIKey is FJGKMENYBHJUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3Si/c1-16(31-17-11-8-7-9-12-17)21(29)28-15-18-19(23(28,2)3)26-27-20(18)25-22(30)24(13-10-14-24)32(4,5)6/h16-17H,7-15H2,1-6H3,(H2,25,26,27,30).

What are the key properties of N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?

N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide has a molecular weight of 460.70 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide is sourced from PubChem (CID 140817121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).