1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde

C18H26N2O2Si — CID 140753736

IUPAC1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C=O)nn1Cc1ccccc1
InChIInChI=1S/C18H26N2O2Si/c1-18(2,3)23(4,5)22-14-17-11-16(13-21)19-20(17)12-15-9-7-6-8-10-15/h6-11,13H,12,14H2,1-5H3
InChIKeyIYMLOXMCMUSQNL-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.27
Rot. Bonds6

About 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde

1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde (PubChem CID 140753736) has the molecular formula C18H26N2O2Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde
PubChem CID140753736
Molecular FormulaC18H26N2O2Si
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C=O)nn1Cc1ccccc1
InChIInChI=1S/C18H26N2O2Si/c1-18(2,3)23(4,5)22-14-17-11-16(13-21)19-20(17)12-15-9-7-6-8-10-15/h6-11,13H,12,14H2,1-5H3
InChIKeyIYMLOXMCMUSQNL-UHFFFAOYSA-N
XLogP4.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromophenyl)methyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde
CID 140753775
(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
CID 14410060
5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbaldehyde
CID 6425101
2-[1-[(3-bromophenyl)methyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-yl]propan-2-ol
CID 140753812
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629
2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid
CID 174156217
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-[(4-ethenyl-1-methylindol-2-yl)methoxy]-dimethylsilane
CID 141366438
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde
CID 58168613

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde?
The IUPAC name of 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde (CID 140753736) is 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde is CC(C)(C)[Si](C)(C)OCc1cc(C=O)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde?
The InChIKey is IYMLOXMCMUSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2Si/c1-18(2,3)23(4,5)22-14-17-11-16(13-21)19-20(17)12-15-9-7-6-8-10-15/h6-11,13H,12,14H2,1-5H3.
What are the key properties of 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde?
1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde has a molecular weight of 330.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde is sourced from PubChem (CID 140753736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).