2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

C25H31FN4OSi — CID 151847139

IUPAC2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)c1c(-c2ccc3[nH]ncc3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C
InChIInChI=1S/C25H31FN4OSi/c1-17(2)25-23(19-8-11-22-20(14-19)15-27-28-22)24(18-6-9-21(26)10-7-18)29-30(25)16-31-12-13-32(3,4)5/h6-11,14-15,17H,12-13,16H2,1-5H3,(H,27,28)
InChIKeySHWWRJUXEXXDLX-UHFFFAOYSA-N
MW450.63 g/mol
LogP6.67
Rot. Bonds8

About 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151847139) has the molecular formula C25H31FN4OSi and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID151847139
Molecular FormulaC25H31FN4OSi
Molecular Weight450.63 g/mol
Exact Mass450.23
IUPAC Name2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)c1c(-c2ccc3[nH]ncc3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C
InChIInChI=1S/C25H31FN4OSi/c1-17(2)25-23(19-8-11-22-20(14-19)15-27-28-22)24(18-6-9-21(26)10-7-18)29-30(25)16-31-12-13-32(3,4)5/h6-11,14-15,17H,12-13,16H2,1-5H3,(H,27,28)
InChIKeySHWWRJUXEXXDLX-UHFFFAOYSA-N
XLogP6.67
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 56.67
H-Bond Donors ≤ 51
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 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 151847139) is 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is CC(C)c1c(-c2ccc3[nH]ncc3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SHWWRJUXEXXDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4OSi/c1-17(2)25-23(19-8-11-22-20(14-19)15-27-28-22)24(18-6-9-21(26)10-7-18)29-30(25)16-31-12-13-32(3,4)5/h6-11,14-15,17H,12-13,16H2,1-5H3,(H,27,28).
What are the key properties of 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 450.63 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151847139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).