3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine

C20H33N3OSi — CID 58532546

IUPAC3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)n1
InChIInChI=1S/C20H33N3OSi/c1-19(2,3)17-13-18(21)23(22-17)16-11-9-15(10-12-16)14-24-25(7,8)20(4,5)6/h9-13H,14,21H2,1-8H3
InChIKeyWKYYYFIJGMOIOL-UHFFFAOYSA-N
MW359.59 g/mol
LogP5.27
Rot. Bonds4

About 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine

3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine (PubChem CID 58532546) has the molecular formula C20H33N3OSi and a molecular weight of 359.59 g/mol. Its IUPAC name is 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine
PubChem CID58532546
Molecular FormulaC20H33N3OSi
Molecular Weight359.59 g/mol
Exact Mass359.24
IUPAC Name3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)n1
InChIInChI=1S/C20H33N3OSi/c1-19(2,3)17-13-18(21)23(22-17)16-11-9-15(10-12-16)14-24-25(7,8)20(4,5)6/h9-13H,14,21H2,1-8H3
InChIKeyWKYYYFIJGMOIOL-UHFFFAOYSA-N
XLogP5.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.59
LogP ≤ 55.27
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 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine (CID 58532546) is 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)n1.
What is the InChIKey of 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine?
The InChIKey is WKYYYFIJGMOIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3OSi/c1-19(2,3)17-13-18(21)23(22-17)16-11-9-15(10-12-16)14-24-25(7,8)20(4,5)6/h9-13H,14,21H2,1-8H3.
What are the key properties of 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine?
3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine has a molecular weight of 359.59 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine is sourced from PubChem (CID 58532546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).