5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile

C10H18N4OSi — CID 71015604

IUPAC5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile
SMILESCCOC(Nc1[nH]ncc1C#N)[Si](C)(C)C
InChIInChI=1S/C10H18N4OSi/c1-5-15-10(16(2,3)4)13-9-8(6-11)7-12-14-9/h7,10H,5H2,1-4H3,(H2,12,13,14)
InChIKeyCASVKFQHTRUGIY-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.93
Rot. Bonds5

About 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile

5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile (PubChem CID 71015604) has the molecular formula C10H18N4OSi and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile
PubChem CID71015604
Molecular FormulaC10H18N4OSi
Molecular Weight238.37 g/mol
Exact Mass238.12
IUPAC Name5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile
SMILESCCOC(Nc1[nH]ncc1C#N)[Si](C)(C)C
InChIInChI=1S/C10H18N4OSi/c1-5-15-10(16(2,3)4)13-9-8(6-11)7-12-14-9/h7,10H,5H2,1-4H3,(H2,12,13,14)
InChIKeyCASVKFQHTRUGIY-UHFFFAOYSA-N
XLogP1.93
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile (CID 71015604) is 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile is CCOC(Nc1[nH]ncc1C#N)[Si](C)(C)C.
What is the InChIKey of 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile?
The InChIKey is CASVKFQHTRUGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OSi/c1-5-15-10(16(2,3)4)13-9-8(6-11)7-12-14-9/h7,10H,5H2,1-4H3,(H2,12,13,14).
What are the key properties of 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile?
5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile has a molecular weight of 238.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethoxy(trimethylsilyl)methyl]amino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 71015604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).