tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane

C24H32FN3OSi — CID 67091981

IUPACtert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C24H32FN3OSi/c1-24(2,3)30(4,5)29-16-6-15-28-22(17-19-7-9-21(25)10-8-19)18-23(27-28)20-11-13-26-14-12-20/h7-14,18H,6,15-17H2,1-5H3
InChIKeyQLRNWOVRIZGOAD-UHFFFAOYSA-N
MW425.62 g/mol
LogP6.09
Rot. Bonds8

About tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane

tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane (PubChem CID 67091981) has the molecular formula C24H32FN3OSi and a molecular weight of 425.62 g/mol. Its IUPAC name is tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane
PubChem CID67091981
Molecular FormulaC24H32FN3OSi
Molecular Weight425.62 g/mol
Exact Mass425.23
IUPAC Nametert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C24H32FN3OSi/c1-24(2,3)30(4,5)29-16-6-15-28-22(17-19-7-9-21(25)10-8-19)18-23(27-28)20-11-13-26-14-12-20/h7-14,18H,6,15-17H2,1-5H3
InChIKeyQLRNWOVRIZGOAD-UHFFFAOYSA-N
XLogP6.09
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
3-(2-Fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 155591385
4-[1-Ethoxymethyl-5-(4-fluoro-phenyl)-1H-[1,2,3]triazol-4-yl]-pyridine
CID 44290243
4-[2-(Ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine
CID 44290409
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium
CID 78225409
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137658011
N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
CID 6899954
N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine
CID 10707688
N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine
CID 10731117

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane (CID 67091981) is tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1.
What is the InChIKey of tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane?
The InChIKey is QLRNWOVRIZGOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3OSi/c1-24(2,3)30(4,5)29-16-6-15-28-22(17-19-7-9-21(25)10-8-19)18-23(27-28)20-11-13-26-14-12-20/h7-14,18H,6,15-17H2,1-5H3.
What are the key properties of tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane?
tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane has a molecular weight of 425.62 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 67091981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).