4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol

C19H28F2N2O3Si — CID 166473875

IUPAC4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol
SMILESCOCCn1cc(-c2ccc(O)c(F)c2F)c(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C19H28F2N2O3Si/c1-19(2,3)27(5,6)26-12-15-14(11-23(22-15)9-10-25-4)13-7-8-16(24)18(21)17(13)20/h7-8,11,24H,9-10,12H2,1-6H3
InChIKeyUGQPFTJMHUAHAS-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.70
Rot. Bonds7

About 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol

4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol (PubChem CID 166473875) has the molecular formula C19H28F2N2O3Si and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol.

Molecular Properties

Compound Name4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol
PubChem CID166473875
Molecular FormulaC19H28F2N2O3Si
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol
SMILESCOCCn1cc(-c2ccc(O)c(F)c2F)c(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C19H28F2N2O3Si/c1-19(2,3)27(5,6)26-12-15-14(11-23(22-15)9-10-25-4)13-7-8-16(24)18(21)17(13)20/h7-8,11,24H,9-10,12H2,1-6H3
InChIKeyUGQPFTJMHUAHAS-UHFFFAOYSA-N
XLogP4.70
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol?
The IUPAC name of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol (CID 166473875) is 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol.
What is the SMILES notation for 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol?
The canonical SMILES for 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol is COCCn1cc(-c2ccc(O)c(F)c2F)c(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol?
The InChIKey is UGQPFTJMHUAHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O3Si/c1-19(2,3)27(5,6)26-12-15-14(11-23(22-15)9-10-25-4)13-7-8-16(24)18(21)17(13)20/h7-8,11,24H,9-10,12H2,1-6H3.
What are the key properties of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol?
4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol has a molecular weight of 398.53 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-methoxyethyl)pyrazol-4-yl]-2,3-difluorophenol is sourced from PubChem (CID 166473875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).