[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine

C25H33N3OSi — CID 101387636

About [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine

[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine (PubChem CID 101387636) has the molecular formula C25H33N3OSi and a molecular weight of 419.65 g/mol. Its IUPAC name is [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine.

Molecular Properties

• Compound Name: [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine
• PubChem CID: 101387636
• Molecular Formula: C25H33N3OSi
• Molecular Weight: 419.65 g/mol
• Exact Mass: 419.24
• IUPAC Name: [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine
• SMILES: Cn1ncc2c1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H]2CN
• InChI: InChI=1S/C25H33N3OSi/c1-25(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-18-20-15-19(16-26)23-17-27-28(4)24(20)23/h5-14,17,19-20H,15-16,18,26H2,1-4H3/t19-,20+/m0/s1
• InChIKey: FKBOICLLBWBCBB-VQTJNVASSA-N
• XLogP: 3.53
• TPSA: 53.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.65
LogP ≤ 5	3.53
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)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine?

The IUPAC name of [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine (CID 101387636) is [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine.

What is the SMILES notation for [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine?

The canonical SMILES for [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine is Cn1ncc2c1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H]2CN.

What is the InChIKey of [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine?

The InChIKey is FKBOICLLBWBCBB-VQTJNVASSA-N. The full InChI is InChI=1S/C25H33N3OSi/c1-25(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-18-20-15-19(16-26)23-17-27-28(4)24(20)23/h5-14,17,19-20H,15-16,18,26H2,1-4H3/t19-,20+/m0/s1.

What are the key properties of [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine?

[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine has a molecular weight of 419.65 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine is sourced from PubChem (CID 101387636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).