5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid

C15H19ClFN3O3Si — CID 163295457

IUPAC5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid
SMILESC[Si](C)(C)CCOCn1nc(C(=O)O)cc1-c1cc(Cl)ncc1F
InChIInChI=1S/C15H19ClFN3O3Si/c1-24(2,3)5-4-23-9-20-13(7-12(19-20)15(21)22)10-6-14(16)18-8-11(10)17/h6-8H,4-5,9H2,1-3H3,(H,21,22)
InChIKeyFLMBFGRVAMSTRD-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.75
Rot. Bonds7

About 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid

5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid (PubChem CID 163295457) has the molecular formula C15H19ClFN3O3Si and a molecular weight of 371.87 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid
PubChem CID163295457
Molecular FormulaC15H19ClFN3O3Si
Molecular Weight371.87 g/mol
Exact Mass371.09
IUPAC Name5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid
SMILESC[Si](C)(C)CCOCn1nc(C(=O)O)cc1-c1cc(Cl)ncc1F
InChIInChI=1S/C15H19ClFN3O3Si/c1-24(2,3)5-4-23-9-20-13(7-12(19-20)15(21)22)10-6-14(16)18-8-11(10)17/h6-8H,4-5,9H2,1-3H3,(H,21,22)
InChIKeyFLMBFGRVAMSTRD-UHFFFAOYSA-N
XLogP3.75
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid 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-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid (CID 163295457) is 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid is C[Si](C)(C)CCOCn1nc(C(=O)O)cc1-c1cc(Cl)ncc1F.
What is the InChIKey of 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is FLMBFGRVAMSTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O3Si/c1-24(2,3)5-4-23-9-20-13(7-12(19-20)15(21)22)10-6-14(16)18-8-11(10)17/h6-8H,4-5,9H2,1-3H3,(H,21,22).
What are the key properties of 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid?
5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid has a molecular weight of 371.87 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 163295457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).