4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde

C17H23N3O2Si — CID 76695337

IUPAC4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=Cc2cccnc2)c(C=O)n1
InChIInChI=1S/C17H23N3O2Si/c1-23(2,3)10-9-22-14-20-12-16(17(13-21)19-20)7-6-15-5-4-8-18-11-15/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyIPTISZISSNMWAR-UHFFFAOYSA-N
MW329.48 g/mol
LogP3.57
Rot. Bonds8

About 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde

4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde (PubChem CID 76695337) has the molecular formula C17H23N3O2Si and a molecular weight of 329.48 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
PubChem CID76695337
Molecular FormulaC17H23N3O2Si
Molecular Weight329.48 g/mol
Exact Mass329.16
IUPAC Name4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=Cc2cccnc2)c(C=O)n1
InChIInChI=1S/C17H23N3O2Si/c1-23(2,3)10-9-22-14-20-12-16(17(13-21)19-20)7-6-15-5-4-8-18-11-15/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyIPTISZISSNMWAR-UHFFFAOYSA-N
XLogP3.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde?
The IUPAC name of 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde (CID 76695337) is 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde is C[Si](C)(C)CCOCn1cc(C=Cc2cccnc2)c(C=O)n1.
What is the InChIKey of 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde?
The InChIKey is IPTISZISSNMWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2Si/c1-23(2,3)10-9-22-14-20-12-16(17(13-21)19-20)7-6-15-5-4-8-18-11-15/h4-8,11-13H,9-10,14H2,1-3H3.
What are the key properties of 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde?
4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde has a molecular weight of 329.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 76695337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).