[(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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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).