[(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

C22H35N3OSi — CID 67752095

IUPAC[(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCc1cc(C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2Cc2ccccc2)n[nH]1
InChIInChI=1S/C22H35N3OSi/c1-17-12-19(24-23-17)13-20-14-21(26-27(5,6)22(2,3)4)16-25(20)15-18-10-8-7-9-11-18/h7-12,20-21H,13-16H2,1-6H3,(H,23,24)/t20-,21-/m1/s1
InChIKeyHOZZNWVIUYFZIV-NHCUHLMSSA-N
MW385.63 g/mol
LogP4.93
Rot. Bonds6

About [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

[(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 67752095) has the molecular formula C22H35N3OSi and a molecular weight of 385.63 g/mol. Its IUPAC name is [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID67752095
Molecular FormulaC22H35N3OSi
Molecular Weight385.63 g/mol
Exact Mass385.25
IUPAC Name[(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCc1cc(C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2Cc2ccccc2)n[nH]1
InChIInChI=1S/C22H35N3OSi/c1-17-12-19(24-23-17)13-20-14-21(26-27(5,6)22(2,3)4)16-25(20)15-18-10-8-7-9-11-18/h7-12,20-21H,13-16H2,1-6H3,(H,23,24)/t20-,21-/m1/s1
InChIKeyHOZZNWVIUYFZIV-NHCUHLMSSA-N
XLogP4.93
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.63
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139674628
(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
CID 152571898
(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 175140102
1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 67033582
tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane
CID 153402327
[(3R,5R)-1-benzyl-5-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139716813
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
CID 23248578
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102324960
tert-butyl 9-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 170947422
(1R,3R,7R,9R)-5-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5-azabicyclo[7.1.0]decan-4-one
CID 11315782
[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-(3-methyl-2-thiophen-2-ylimidazol-4-yl)methanol
CID 67705713
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 102262809

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (CID 67752095) is [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane is Cc1cc(C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2Cc2ccccc2)n[nH]1.
What is the InChIKey of [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HOZZNWVIUYFZIV-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H35N3OSi/c1-17-12-19(24-23-17)13-20-14-21(26-27(5,6)22(2,3)4)16-25(20)15-18-10-8-7-9-11-18/h7-12,20-21H,13-16H2,1-6H3,(H,23,24)/t20-,21-/m1/s1.
What are the key properties of [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 385.63 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 67752095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).