[(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane

C21H36N2O2Si — CID 100962789

About [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane

[(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane (PubChem CID 100962789) has the molecular formula C21H36N2O2Si and a molecular weight of 376.62 g/mol. Its IUPAC name is [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane
• PubChem CID: 100962789
• Molecular Formula: C21H36N2O2Si
• Molecular Weight: 376.62 g/mol
• Exact Mass: 376.25
• IUPAC Name: [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane
• SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1=NN[C@@H]([Si](C)(C)C)[C@@H]1c1ccco1
• InChI: InChI=1S/C21H36N2O2Si/c1-14(2)16-10-9-15(3)12-19(16)25-13-17-20(18-8-7-11-24-18)21(23-22-17)26(4,5)6/h7-8,11,14-16,19-21,23H,9-10,12-13H2,1-6H3/t15-,16+,19-,20+,21+/m1/s1
• InChIKey: VUQNQNFAMDMCSZ-HZDRLRHHSA-N
• XLogP: 5.05
• TPSA: 46.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.62
LogP ≤ 5	5.05
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 [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane?

The IUPAC name of [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane (CID 100962789) is [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane.

What is the SMILES notation for [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane?

The canonical SMILES for [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1=NN[C@@H]([Si](C)(C)C)[C@@H]1c1ccco1.

What is the InChIKey of [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane?

The InChIKey is VUQNQNFAMDMCSZ-HZDRLRHHSA-N. The full InChI is InChI=1S/C21H36N2O2Si/c1-14(2)16-10-9-15(3)12-19(16)25-13-17-20(18-8-7-11-24-18)21(23-22-17)26(4,5)6/h7-8,11,14-16,19-21,23H,9-10,12-13H2,1-6H3/t15-,16+,19-,20+,21+/m1/s1.

What are the key properties of [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane?

[(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane has a molecular weight of 376.62 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S,5S)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4,5-dihydro-1H-pyrazol-5-yl]-trimethylsilane is sourced from PubChem (CID 100962789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).