1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine

C17H33N3O2Si — CID 169142047

IUPAC1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine
SMILESCC(C)(C)n1nc([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)cc1N
InChIInChI=1S/C17H33N3O2Si/c1-16(2,3)20-15(18)10-13(19-20)14-9-12(11-21-14)22-23(7,8)17(4,5)6/h10,12,14H,9,11,18H2,1-8H3/t12-,14+/m1/s1
InChIKeyZEZSTEIXMIJYFI-OCCSQVGLSA-N
MW339.56 g/mol
LogP4.07
Rot. Bonds3

About 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine

1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine (PubChem CID 169142047) has the molecular formula C17H33N3O2Si and a molecular weight of 339.56 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine
PubChem CID169142047
Molecular FormulaC17H33N3O2Si
Molecular Weight339.56 g/mol
Exact Mass339.23
IUPAC Name1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine
SMILESCC(C)(C)n1nc([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)cc1N
InChIInChI=1S/C17H33N3O2Si/c1-16(2,3)20-15(18)10-13(19-20)14-9-12(11-21-14)22-23(7,8)17(4,5)6/h10,12,14H,9,11,18H2,1-8H3/t12-,14+/m1/s1
InChIKeyZEZSTEIXMIJYFI-OCCSQVGLSA-N
XLogP4.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine (CID 169142047) is 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine is CC(C)(C)n1nc([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)cc1N.
What is the InChIKey of 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine?
The InChIKey is ZEZSTEIXMIJYFI-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H33N3O2Si/c1-16(2,3)20-15(18)10-13(19-20)14-9-12(11-21-14)22-23(7,8)17(4,5)6/h10,12,14H,9,11,18H2,1-8H3/t12-,14+/m1/s1.
What are the key properties of 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine?
1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine has a molecular weight of 339.56 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]pyrazol-5-amine is sourced from PubChem (CID 169142047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).