2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine

C21H27N3OSi — CID 67471107

IUPAC2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine
SMILESCC(C)(C)[Si](OCCn1nccc1N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3OSi/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-16-24-20(22)14-15-23-24/h4-15H,16-17,22H2,1-3H3
InChIKeyKNWRFJOQXHCDBU-UHFFFAOYSA-N
MW365.55 g/mol
LogP3.04
Rot. Bonds6

About 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine

2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine (PubChem CID 67471107) has the molecular formula C21H27N3OSi and a molecular weight of 365.55 g/mol. Its IUPAC name is 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine
PubChem CID67471107
Molecular FormulaC21H27N3OSi
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC Name2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine
SMILESCC(C)(C)[Si](OCCn1nccc1N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3OSi/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-16-24-20(22)14-15-23-24/h4-15H,16-17,22H2,1-3H3
InChIKeyKNWRFJOQXHCDBU-UHFFFAOYSA-N
XLogP3.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 53.04
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 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine?
The IUPAC name of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine (CID 67471107) is 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine.
What is the SMILES notation for 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine?
The canonical SMILES for 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine is CC(C)(C)[Si](OCCn1nccc1N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine?
The InChIKey is KNWRFJOQXHCDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OSi/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-16-24-20(22)14-15-23-24/h4-15H,16-17,22H2,1-3H3.
What are the key properties of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine?
2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine has a molecular weight of 365.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine is sourced from PubChem (CID 67471107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).