5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine

C11H23N3O2Si — CID 66872437

IUPAC5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
SMILESCCOc1cc(N)nn1COCC[Si](C)(C)C
InChIInChI=1S/C11H23N3O2Si/c1-5-16-11-8-10(12)13-14(11)9-15-6-7-17(2,3)4/h8H,5-7,9H2,1-4H3,(H2,12,13)
InChIKeySIUFMQGAZNEDNB-UHFFFAOYSA-N
MW257.41 g/mol
LogP2.18
Rot. Bonds7

About 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine

5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine (PubChem CID 66872437) has the molecular formula C11H23N3O2Si and a molecular weight of 257.41 g/mol. Its IUPAC name is 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
PubChem CID66872437
Molecular FormulaC11H23N3O2Si
Molecular Weight257.41 g/mol
Exact Mass257.16
IUPAC Name5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
SMILESCCOc1cc(N)nn1COCC[Si](C)(C)C
InChIInChI=1S/C11H23N3O2Si/c1-5-16-11-8-10(12)13-14(11)9-15-6-7-17(2,3)4/h8H,5-7,9H2,1-4H3,(H2,12,13)
InChIKeySIUFMQGAZNEDNB-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
The IUPAC name of 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine (CID 66872437) is 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine.
What is the SMILES notation for 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
The canonical SMILES for 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine is CCOc1cc(N)nn1COCC[Si](C)(C)C.
What is the InChIKey of 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
The InChIKey is SIUFMQGAZNEDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2Si/c1-5-16-11-8-10(12)13-14(11)9-15-6-7-17(2,3)4/h8H,5-7,9H2,1-4H3,(H2,12,13).
What are the key properties of 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine has a molecular weight of 257.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine is sourced from PubChem (CID 66872437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).