phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate

C16H23N3O3Si — CID 164836120

IUPACphenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate
SMILESC[Si](C)(C)CCOCn1ccc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C16H23N3O3Si/c1-23(2,3)12-11-21-13-19-10-9-15(18-19)17-16(20)22-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3,(H,17,18,20)
InChIKeyDEXONXQFZNBXRE-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.81
Rot. Bonds7

About phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate

phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate (PubChem CID 164836120) has the molecular formula C16H23N3O3Si and a molecular weight of 333.46 g/mol. Its IUPAC name is phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate
PubChem CID164836120
Molecular FormulaC16H23N3O3Si
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Namephenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate
SMILESC[Si](C)(C)CCOCn1ccc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C16H23N3O3Si/c1-23(2,3)12-11-21-13-19-10-9-15(18-19)17-16(20)22-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3,(H,17,18,20)
InChIKeyDEXONXQFZNBXRE-UHFFFAOYSA-N
XLogP3.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.81
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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Related Compounds

phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol
CID 66889445
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
phenyl N-[1-[(2E)-3-fluoroocta-2,4,7-trien-4-yl]pyrazol-3-yl]carbamate
CID 143109715
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202
2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87234798
ethane;phenyl N-[1-[(2E)-3-fluoroocta-2,4,7-trien-4-yl]pyrazol-3-yl]carbamate
CID 143109714
phenyl N-(4-methoxybutyl)carbamate
CID 61073944

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate?
The IUPAC name of phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate (CID 164836120) is phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate?
The canonical SMILES for phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate is C[Si](C)(C)CCOCn1ccc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate?
The InChIKey is DEXONXQFZNBXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3Si/c1-23(2,3)12-11-21-13-19-10-9-15(18-19)17-16(20)22-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3,(H,17,18,20).
What are the key properties of phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate?
phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate has a molecular weight of 333.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate is sourced from PubChem (CID 164836120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).