5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine

C16H24FN3O2Si — CID 66850698

IUPAC5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine
SMILESCOc1ccc(F)cc1-c1c(N)cnn1CCOC[Si](C)(C)C
InChIInChI=1S/C16H24FN3O2Si/c1-21-15-6-5-12(17)9-13(15)16-14(18)10-19-20(16)7-8-22-11-23(2,3)4/h5-6,9-10H,7-8,11,18H2,1-4H3
InChIKeyJYNZGRVTAOYBOS-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.17
Rot. Bonds7

About 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine

5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine (PubChem CID 66850698) has the molecular formula C16H24FN3O2Si and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine
PubChem CID66850698
Molecular FormulaC16H24FN3O2Si
Molecular Weight337.47 g/mol
Exact Mass337.16
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine
SMILESCOc1ccc(F)cc1-c1c(N)cnn1CCOC[Si](C)(C)C
InChIInChI=1S/C16H24FN3O2Si/c1-21-15-6-5-12(17)9-13(15)16-14(18)10-19-20(16)7-8-22-11-23(2,3)4/h5-6,9-10H,7-8,11,18H2,1-4H3
InChIKeyJYNZGRVTAOYBOS-UHFFFAOYSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine (CID 66850698) is 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine is COc1ccc(F)cc1-c1c(N)cnn1CCOC[Si](C)(C)C.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine?
The InChIKey is JYNZGRVTAOYBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2Si/c1-21-15-6-5-12(17)9-13(15)16-14(18)10-19-20(16)7-8-22-11-23(2,3)4/h5-6,9-10H,7-8,11,18H2,1-4H3.
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine?
5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine has a molecular weight of 337.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 66850698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).