5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde

C23H29FN4O5Si — CID 164718555

IUPAC5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(C=O)cc1C(O)c1ccnn1-c1ccc(F)cc1C1OCCO1
InChIInChI=1S/C23H29FN4O5Si/c1-34(2,3)11-10-31-15-27-21(13-17(14-29)26-27)22(30)20-6-7-25-28(20)19-5-4-16(24)12-18(19)23-32-8-9-33-23/h4-7,12-14,22-23,30H,8-11,15H2,1-3H3
InChIKeyLULPLBRRQCVECY-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.46
Rot. Bonds10

About 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde

5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde (PubChem CID 164718555) has the molecular formula C23H29FN4O5Si and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
PubChem CID164718555
Molecular FormulaC23H29FN4O5Si
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC Name5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(C=O)cc1C(O)c1ccnn1-c1ccc(F)cc1C1OCCO1
InChIInChI=1S/C23H29FN4O5Si/c1-34(2,3)11-10-31-15-27-21(13-17(14-29)26-27)22(30)20-6-7-25-28(20)19-5-4-16(24)12-18(19)23-32-8-9-33-23/h4-7,12-14,22-23,30H,8-11,15H2,1-3H3
InChIKeyLULPLBRRQCVECY-UHFFFAOYSA-N
XLogP3.46
TPSA100.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde 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 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde?
The IUPAC name of 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde (CID 164718555) is 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde is C[Si](C)(C)CCOCn1nc(C=O)cc1C(O)c1ccnn1-c1ccc(F)cc1C1OCCO1.
What is the InChIKey of 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde?
The InChIKey is LULPLBRRQCVECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O5Si/c1-34(2,3)11-10-31-15-27-21(13-17(14-29)26-27)22(30)20-6-7-25-28(20)19-5-4-16(24)12-18(19)23-32-8-9-33-23/h4-7,12-14,22-23,30H,8-11,15H2,1-3H3.
What are the key properties of 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde?
5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde has a molecular weight of 488.59 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 164718555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).