[(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol

C31H36N2O2Si — CID 134969927

About [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol

[(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol (PubChem CID 134969927) has the molecular formula C31H36N2O2Si and a molecular weight of 496.73 g/mol. Its IUPAC name is [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol.

Molecular Properties

• Compound Name: [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
• PubChem CID: 134969927
• Molecular Formula: C31H36N2O2Si
• Molecular Weight: 496.73 g/mol
• Exact Mass: 496.25
• IUPAC Name: [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
• SMILES: CC(C)(C)[Si](OC[C@H]1C[C@@H](CO)c2cn(Cc3ccccc3)nc21)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C31H36N2O2Si/c1-31(2,3)36(27-15-9-5-10-16-27,28-17-11-6-12-18-28)35-23-26-19-25(22-34)29-21-33(32-30(26)29)20-24-13-7-4-8-14-24/h4-18,21,25-26,34H,19-20,22-23H2,1-3H3/t25-,26+/m0/s1
• InChIKey: DXTDEVJUNTUFSY-IZZNHLLZSA-N
• XLogP: 5.07
• TPSA: 47.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.73
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
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 [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol?

The IUPAC name of [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol (CID 134969927) is [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol.

What is the SMILES notation for [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol?

The canonical SMILES for [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol is CC(C)(C)[Si](OC[C@H]1C[C@@H](CO)c2cn(Cc3ccccc3)nc21)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol?

The InChIKey is DXTDEVJUNTUFSY-IZZNHLLZSA-N. The full InChI is InChI=1S/C31H36N2O2Si/c1-31(2,3)36(27-15-9-5-10-16-27,28-17-11-6-12-18-28)35-23-26-19-25(22-34)29-21-33(32-30(26)29)20-24-13-7-4-8-14-24/h4-18,21,25-26,34H,19-20,22-23H2,1-3H3/t25-,26+/m0/s1.

What are the key properties of [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol?

[(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol has a molecular weight of 496.73 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol is sourced from PubChem (CID 134969927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).