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

C12H25N3O2Si — CID 66872773

IUPAC5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
SMILESCCCOc1cc(N)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H25N3O2Si/c1-5-6-17-12-9-11(13)14-15(12)10-16-7-8-18(2,3)4/h9H,5-8,10H2,1-4H3,(H2,13,14)
InChIKeyWNKJEDFLMMVGQH-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.57
Rot. Bonds8

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

5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine (PubChem CID 66872773) has the molecular formula C12H25N3O2Si and a molecular weight of 271.44 g/mol. Its IUPAC name is 5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
PubChem CID66872773
Molecular FormulaC12H25N3O2Si
Molecular Weight271.44 g/mol
Exact Mass271.17
IUPAC Name5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
SMILESCCCOc1cc(N)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H25N3O2Si/c1-5-6-17-12-9-11(13)14-15(12)10-16-7-8-18(2,3)4/h9H,5-8,10H2,1-4H3,(H2,13,14)
InChIKeyWNKJEDFLMMVGQH-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.57
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-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
The IUPAC name of 5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine (CID 66872773) is 5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine.
What is the SMILES notation for 5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
The canonical SMILES for 5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine is CCCOc1cc(N)nn1COCC[Si](C)(C)C.
What is the InChIKey of 5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
The InChIKey is WNKJEDFLMMVGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2Si/c1-5-6-17-12-9-11(13)14-15(12)10-16-7-8-18(2,3)4/h9H,5-8,10H2,1-4H3,(H2,13,14).
What are the key properties of 5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine has a molecular weight of 271.44 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine is sourced from PubChem (CID 66872773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).