tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane

C12H23N3OSi — CID 175824634

IUPACtert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCn1cc2c(n1)CNC2
InChIInChI=1S/C12H23N3OSi/c1-12(2,3)17(4,5)16-9-15-8-10-6-13-7-11(10)14-15/h8,13H,6-7,9H2,1-5H3
InChIKeyBWWCRMLMHHMETH-UHFFFAOYSA-N
MW253.42 g/mol
LogP2.47
Rot. Bonds3

About tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane

tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane (PubChem CID 175824634) has the molecular formula C12H23N3OSi and a molecular weight of 253.42 g/mol. Its IUPAC name is tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane
PubChem CID175824634
Molecular FormulaC12H23N3OSi
Molecular Weight253.42 g/mol
Exact Mass253.16
IUPAC Nametert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCn1cc2c(n1)CNC2
InChIInChI=1S/C12H23N3OSi/c1-12(2,3)17(4,5)16-9-15-8-10-6-13-7-11(10)14-15/h8,13H,6-7,9H2,1-5H3
InChIKeyBWWCRMLMHHMETH-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 52.47
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 tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane (CID 175824634) is tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OCn1cc2c(n1)CNC2.
What is the InChIKey of tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane?
The InChIKey is BWWCRMLMHHMETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OSi/c1-12(2,3)17(4,5)16-9-15-8-10-6-13-7-11(10)14-15/h8,13H,6-7,9H2,1-5H3.
What are the key properties of tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane?
tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane has a molecular weight of 253.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane is sourced from PubChem (CID 175824634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).