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

C17H32FN3O2Si — CID 169142867

IUPAC1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine
SMILESCC(C)(C)n1nc([C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2F)cc1N
InChIInChI=1S/C17H32FN3O2Si/c1-16(2,3)21-13(19)9-11(20-21)15-14(18)12(10-22-15)23-24(7,8)17(4,5)6/h9,12,14-15H,10,19H2,1-8H3/t12-,14+,15+/m1/s1
InChIKeyJZXXLEGNINYVRT-SNPRPXQTSA-N
MW357.55 g/mol
LogP4.02
Rot. Bonds3

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

1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine (PubChem CID 169142867) has the molecular formula C17H32FN3O2Si and a molecular weight of 357.55 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine
PubChem CID169142867
Molecular FormulaC17H32FN3O2Si
Molecular Weight357.55 g/mol
Exact Mass357.22
IUPAC Name1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine
SMILESCC(C)(C)n1nc([C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2F)cc1N
InChIInChI=1S/C17H32FN3O2Si/c1-16(2,3)21-13(19)9-11(20-21)15-14(18)12(10-22-15)23-24(7,8)17(4,5)6/h9,12,14-15H,10,19H2,1-8H3/t12-,14+,15+/m1/s1
InChIKeyJZXXLEGNINYVRT-SNPRPXQTSA-N
XLogP4.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 54.02
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,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine (CID 169142867) is 1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine is CC(C)(C)n1nc([C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2F)cc1N.
What is the InChIKey of 1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine?
The InChIKey is JZXXLEGNINYVRT-SNPRPXQTSA-N. The full InChI is InChI=1S/C17H32FN3O2Si/c1-16(2,3)21-13(19)9-11(20-21)15-14(18)12(10-22-15)23-24(7,8)17(4,5)6/h9,12,14-15H,10,19H2,1-8H3/t12-,14+,15+/m1/s1.
What are the key properties of 1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine?
1-tert-butyl-3-[(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine has a molecular weight of 357.55 g/mol, XLogP of 4.02, 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,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrazol-5-amine is sourced from PubChem (CID 169142867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).