tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate

C20H39N3O3Si — CID 166591610

IUPACtert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate
SMILESCC[C@H](CCc1cc(CO[Si](C)(C)C(C)(C)C)[nH]n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H39N3O3Si/c1-10-15(21-18(24)26-19(2,3)4)11-12-16-13-17(23-22-16)14-25-27(8,9)20(5,6)7/h13,15H,10-12,14H2,1-9H3,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyIDQAKPBPIBHTMZ-OAHLLOKOSA-N
MW397.64 g/mol
LogP5.17
Rot. Bonds8

About tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate

tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate (PubChem CID 166591610) has the molecular formula C20H39N3O3Si and a molecular weight of 397.64 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate
PubChem CID166591610
Molecular FormulaC20H39N3O3Si
Molecular Weight397.64 g/mol
Exact Mass397.28
IUPAC Nametert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate
SMILESCC[C@H](CCc1cc(CO[Si](C)(C)C(C)(C)C)[nH]n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H39N3O3Si/c1-10-15(21-18(24)26-19(2,3)4)11-12-16-13-17(23-22-16)14-25-27(8,9)20(5,6)7/h13,15H,10-12,14H2,1-9H3,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyIDQAKPBPIBHTMZ-OAHLLOKOSA-N
XLogP5.17
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 55.17
H-Bond Donors ≤ 52
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 tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate (CID 166591610) is tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate is CC[C@H](CCc1cc(CO[Si](C)(C)C(C)(C)C)[nH]n1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate?
The InChIKey is IDQAKPBPIBHTMZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H39N3O3Si/c1-10-15(21-18(24)26-19(2,3)4)11-12-16-13-17(23-22-16)14-25-27(8,9)20(5,6)7/h13,15H,10-12,14H2,1-9H3,(H,21,24)(H,22,23)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate?
tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate has a molecular weight of 397.64 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate is sourced from PubChem (CID 166591610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).