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

C18H34FN3OSi — CID 169143584

IUPAC1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine
SMILESCC(C)(C)n1nc([C@@H]2C[C@H](F)[C@H](O[Si](C)(C)C(C)(C)C)C2)cc1N
InChIInChI=1S/C18H34FN3OSi/c1-17(2,3)22-16(20)11-14(21-22)12-9-13(19)15(10-12)23-24(7,8)18(4,5)6/h11-13,15H,9-10,20H2,1-8H3/t12-,13+,15-/m1/s1
InChIKeyWWOFCYVTLKHLKD-VNHYZAJKSA-N
MW355.57 g/mol
LogP4.83
Rot. Bonds3

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

1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine (PubChem CID 169143584) has the molecular formula C18H34FN3OSi and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine
PubChem CID169143584
Molecular FormulaC18H34FN3OSi
Molecular Weight355.57 g/mol
Exact Mass355.25
IUPAC Name1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine
SMILESCC(C)(C)n1nc([C@@H]2C[C@H](F)[C@H](O[Si](C)(C)C(C)(C)C)C2)cc1N
InChIInChI=1S/C18H34FN3OSi/c1-17(2,3)22-16(20)11-14(21-22)12-9-13(19)15(10-12)23-24(7,8)18(4,5)6/h11-13,15H,9-10,20H2,1-8H3/t12-,13+,15-/m1/s1
InChIKeyWWOFCYVTLKHLKD-VNHYZAJKSA-N
XLogP4.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine (CID 169143584) is 1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine is CC(C)(C)n1nc([C@@H]2C[C@H](F)[C@H](O[Si](C)(C)C(C)(C)C)C2)cc1N.
What is the InChIKey of 1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine?
The InChIKey is WWOFCYVTLKHLKD-VNHYZAJKSA-N. The full InChI is InChI=1S/C18H34FN3OSi/c1-17(2,3)22-16(20)11-14(21-22)12-9-13(19)15(10-12)23-24(7,8)18(4,5)6/h11-13,15H,9-10,20H2,1-8H3/t12-,13+,15-/m1/s1.
What are the key properties of 1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine?
1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine has a molecular weight of 355.57 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(1S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]pyrazol-5-amine is sourced from PubChem (CID 169143584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).