1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine

C11H22ClN3OSi — CID 165385908

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc(N)c1Cl
InChIInChI=1S/C11H22ClN3OSi/c1-11(2,3)17(4,5)16-7-6-15-10(12)9(13)8-14-15/h8H,6-7,13H2,1-5H3
InChIKeyGGZQNJXHZZGNFY-UHFFFAOYSA-N
MW275.86 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine (PubChem CID 165385908) has the molecular formula C11H22ClN3OSi and a molecular weight of 275.86 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine
PubChem CID165385908
Molecular FormulaC11H22ClN3OSi
Molecular Weight275.86 g/mol
Exact Mass275.12
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc(N)c1Cl
InChIInChI=1S/C11H22ClN3OSi/c1-11(2,3)17(4,5)16-7-6-15-10(12)9(13)8-14-15/h8H,6-7,13H2,1-5H3
InChIKeyGGZQNJXHZZGNFY-UHFFFAOYSA-N
XLogP3.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane
CID 169448663
4-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-5-carbaldehyde
CID 154722593
2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 169069472
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol
CID 59747913
tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane
CID 164547420
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione
CID 158489389
1-tert-butyl-5-chloropyrazol-4-amine
CID 115014238
tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane
CID 58200284
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol
CID 172573565
tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethoxy]silane
CID 170692410
5-chloro-1-methylpyrazol-4-amine;dihydrochloride
CID 122164434
6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471536

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine (CID 165385908) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine is CC(C)(C)[Si](C)(C)OCCn1ncc(N)c1Cl.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine?
The InChIKey is GGZQNJXHZZGNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN3OSi/c1-11(2,3)17(4,5)16-7-6-15-10(12)9(13)8-14-15/h8H,6-7,13H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine has a molecular weight of 275.86 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine is sourced from PubChem (CID 165385908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).