5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine

C12H25N3O2Si — CID 66872342

IUPAC5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
SMILESCC(C)Oc1cc(N)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H25N3O2Si/c1-10(2)17-12-8-11(13)14-15(12)9-16-6-7-18(3,4)5/h8,10H,6-7,9H2,1-5H3,(H2,13,14)
InChIKeyZHIMFEQSCIUDDI-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.56
Rot. Bonds7

About 5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine

5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine (PubChem CID 66872342) has the molecular formula C12H25N3O2Si and a molecular weight of 271.44 g/mol. Its IUPAC name is 5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
PubChem CID66872342
Molecular FormulaC12H25N3O2Si
Molecular Weight271.44 g/mol
Exact Mass271.17
IUPAC Name5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
SMILESCC(C)Oc1cc(N)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H25N3O2Si/c1-10(2)17-12-8-11(13)14-15(12)9-16-6-7-18(3,4)5/h8,10H,6-7,9H2,1-5H3,(H2,13,14)
InChIKeyZHIMFEQSCIUDDI-UHFFFAOYSA-N
XLogP2.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.56
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-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
The IUPAC name of 5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine (CID 66872342) is 5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine.
What is the SMILES notation for 5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
The canonical SMILES for 5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine is CC(C)Oc1cc(N)nn1COCC[Si](C)(C)C.
What is the InChIKey of 5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
The InChIKey is ZHIMFEQSCIUDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2Si/c1-10(2)17-12-8-11(13)14-15(12)9-16-6-7-18(3,4)5/h8,10H,6-7,9H2,1-5H3,(H2,13,14).
What are the key properties of 5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine?
5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine has a molecular weight of 271.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine is sourced from PubChem (CID 66872342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).