N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine

C18H27N3O2Si — CID 131733317

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2cnn(C3COC3)c2)cc1
InChIInChI=1S/C18H27N3O2Si/c1-18(2,3)24(4,5)23-17-8-6-14(7-9-17)20-15-10-19-21(11-15)16-12-22-13-16/h6-11,16,20H,12-13H2,1-5H3
InChIKeyAMKLHYYNROIWBY-UHFFFAOYSA-N
MW345.52 g/mol
LogP4.58
Rot. Bonds5

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine (PubChem CID 131733317) has the molecular formula C18H27N3O2Si and a molecular weight of 345.52 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine
PubChem CID131733317
Molecular FormulaC18H27N3O2Si
Molecular Weight345.52 g/mol
Exact Mass345.19
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2cnn(C3COC3)c2)cc1
InChIInChI=1S/C18H27N3O2Si/c1-18(2,3)24(4,5)23-17-8-6-14(7-9-17)20-15-10-19-21(11-15)16-12-22-13-16/h6-11,16,20H,12-13H2,1-5H3
InChIKeyAMKLHYYNROIWBY-UHFFFAOYSA-N
XLogP4.58
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 54.58
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 N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine (CID 131733317) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine is CC(C)(C)[Si](C)(C)Oc1ccc(Nc2cnn(C3COC3)c2)cc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine?
The InChIKey is AMKLHYYNROIWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2Si/c1-18(2,3)24(4,5)23-17-8-6-14(7-9-17)20-15-10-19-21(11-15)16-12-22-13-16/h6-11,16,20H,12-13H2,1-5H3.
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine?
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine has a molecular weight of 345.52 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxetan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 131733317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).