[4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate

C15H26N4O3Si — CID 91011564

IUPAC[4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1nn(COCC[Si](C)(C)C)cc1C#N
InChIInChI=1S/C15H26N4O3Si/c1-15(2,3)17-14(20)22-13-12(9-16)10-19(18-13)11-21-7-8-23(4,5)6/h10H,7-8,11H2,1-6H3,(H,17,20)
InChIKeyZQQVAMWXVCAPBX-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.95
Rot. Bonds6

About [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate

[4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate (PubChem CID 91011564) has the molecular formula C15H26N4O3Si and a molecular weight of 338.48 g/mol. Its IUPAC name is [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate
PubChem CID91011564
Molecular FormulaC15H26N4O3Si
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name[4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1nn(COCC[Si](C)(C)C)cc1C#N
InChIInChI=1S/C15H26N4O3Si/c1-15(2,3)17-14(20)22-13-12(9-16)10-19(18-13)11-21-7-8-23(4,5)6/h10H,7-8,11H2,1-6H3,(H,17,20)
InChIKeyZQQVAMWXVCAPBX-UHFFFAOYSA-N
XLogP2.95
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate?
The IUPAC name of [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate (CID 91011564) is [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1nn(COCC[Si](C)(C)C)cc1C#N.
What is the InChIKey of [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate?
The InChIKey is ZQQVAMWXVCAPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3Si/c1-15(2,3)17-14(20)22-13-12(9-16)10-19(18-13)11-21-7-8-23(4,5)6/h10H,7-8,11H2,1-6H3,(H,17,20).
What are the key properties of [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate?
[4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate has a molecular weight of 338.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 91011564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).