N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine

C30H41N3Si3 — CID 140624852

IUPACN-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine
SMILESCC[Si](CC)(CC)N(c1cnn([Si](C)(C)C)c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H41N3Si3/c1-7-35(8-2,9-3)33(27-25-31-32(26-27)34(4,5)6)36(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30/h10-26H,7-9H2,1-6H3
InChIKeyWXCHXYKLUVDWBN-UHFFFAOYSA-N
MW527.94 g/mol
LogP6.04
Rot. Bonds10

About N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine

N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine (PubChem CID 140624852) has the molecular formula C30H41N3Si3 and a molecular weight of 527.94 g/mol. Its IUPAC name is N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine.

Molecular Properties

Compound NameN-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine
PubChem CID140624852
Molecular FormulaC30H41N3Si3
Molecular Weight527.94 g/mol
Exact Mass527.26
IUPAC NameN-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine
SMILESCC[Si](CC)(CC)N(c1cnn([Si](C)(C)C)c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H41N3Si3/c1-7-35(8-2,9-3)33(27-25-31-32(26-27)34(4,5)6)36(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30/h10-26H,7-9H2,1-6H3
InChIKeyWXCHXYKLUVDWBN-UHFFFAOYSA-N
XLogP6.04
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.94
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine?
The IUPAC name of N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine (CID 140624852) is N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine.
What is the SMILES notation for N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine?
The canonical SMILES for N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine is CC[Si](CC)(CC)N(c1cnn([Si](C)(C)C)c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine?
The InChIKey is WXCHXYKLUVDWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3Si3/c1-7-35(8-2,9-3)33(27-25-31-32(26-27)34(4,5)6)36(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30/h10-26H,7-9H2,1-6H3.
What are the key properties of N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine?
N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine has a molecular weight of 527.94 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-triethylsilyl-1-trimethylsilyl-N-triphenylsilylpyrazol-4-amine is sourced from PubChem (CID 140624852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).