(E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine

C8H15N3OSi — CID 87078957

IUPAC(E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine
SMILESCn1cc(/C=N/O[Si](C)(C)C)cn1
InChIInChI=1S/C8H15N3OSi/c1-11-7-8(5-9-11)6-10-12-13(2,3)4/h5-7H,1-4H3/b10-6+
InChIKeyMUCNDMZHIYIEKU-UXBLZVDNSA-N
MW197.31 g/mol
LogP1.61
Rot. Bonds3

About (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine

(E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine (PubChem CID 87078957) has the molecular formula C8H15N3OSi and a molecular weight of 197.31 g/mol. Its IUPAC name is (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine.

Molecular Properties

Compound Name(E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine
PubChem CID87078957
Molecular FormulaC8H15N3OSi
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name(E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine
SMILESCn1cc(/C=N/O[Si](C)(C)C)cn1
InChIInChI=1S/C8H15N3OSi/c1-11-7-8(5-9-11)6-10-12-13(2,3)4/h5-7H,1-4H3/b10-6+
InChIKeyMUCNDMZHIYIEKU-UXBLZVDNSA-N
XLogP1.61
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine?
The IUPAC name of (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine (CID 87078957) is (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine.
What is the SMILES notation for (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine?
The canonical SMILES for (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine is Cn1cc(/C=N/O[Si](C)(C)C)cn1.
What is the InChIKey of (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine?
The InChIKey is MUCNDMZHIYIEKU-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H15N3OSi/c1-11-7-8(5-9-11)6-10-12-13(2,3)4/h5-7H,1-4H3/b10-6+.
What are the key properties of (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine?
(E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine has a molecular weight of 197.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine is sourced from PubChem (CID 87078957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).