2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate

C13H26N4O3Si — CID 175886441

IUPAC2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate
SMILESCOc1nn(CCCNC(=O)OCC[Si](C)(C)C)cc1N
InChIInChI=1S/C13H26N4O3Si/c1-19-12-11(14)10-17(16-12)7-5-6-15-13(18)20-8-9-21(2,3)4/h10H,5-9,14H2,1-4H3,(H,15,18)
InChIKeyYNPBNBMBFDEPSN-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.93
Rot. Bonds8

About 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate

2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate (PubChem CID 175886441) has the molecular formula C13H26N4O3Si and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate
PubChem CID175886441
Molecular FormulaC13H26N4O3Si
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate
SMILESCOc1nn(CCCNC(=O)OCC[Si](C)(C)C)cc1N
InChIInChI=1S/C13H26N4O3Si/c1-19-12-11(14)10-17(16-12)7-5-6-15-13(18)20-8-9-21(2,3)4/h10H,5-9,14H2,1-4H3,(H,15,18)
InChIKeyYNPBNBMBFDEPSN-UHFFFAOYSA-N
XLogP1.93
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
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 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate (CID 175886441) is 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate is COc1nn(CCCNC(=O)OCC[Si](C)(C)C)cc1N.
What is the InChIKey of 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate?
The InChIKey is YNPBNBMBFDEPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3Si/c1-19-12-11(14)10-17(16-12)7-5-6-15-13(18)20-8-9-21(2,3)4/h10H,5-9,14H2,1-4H3,(H,15,18).
What are the key properties of 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate?
2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate has a molecular weight of 314.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate is sourced from PubChem (CID 175886441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).