6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine

C16H25FN4OSi — CID 167527695

IUPAC6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine
SMILESCc1nn(COCC[Si](C)(C)C)c(C)c1-c1ncc(N)cc1F
InChIInChI=1S/C16H25FN4OSi/c1-11-15(16-14(17)8-13(18)9-19-16)12(2)21(20-11)10-22-6-7-23(3,4)5/h8-9H,6-7,10,18H2,1-5H3
InChIKeyUOGVNZKFWGVYQJ-UHFFFAOYSA-N
MW336.49 g/mol
LogP3.60
Rot. Bonds6

About 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine

6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine (PubChem CID 167527695) has the molecular formula C16H25FN4OSi and a molecular weight of 336.49 g/mol. Its IUPAC name is 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine.

Molecular Properties

Compound Name6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine
PubChem CID167527695
Molecular FormulaC16H25FN4OSi
Molecular Weight336.49 g/mol
Exact Mass336.18
IUPAC Name6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine
SMILESCc1nn(COCC[Si](C)(C)C)c(C)c1-c1ncc(N)cc1F
InChIInChI=1S/C16H25FN4OSi/c1-11-15(16-14(17)8-13(18)9-19-16)12(2)21(20-11)10-22-6-7-23(3,4)5/h8-9H,6-7,10,18H2,1-5H3
InChIKeyUOGVNZKFWGVYQJ-UHFFFAOYSA-N
XLogP3.60
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine 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 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine?
The IUPAC name of 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine (CID 167527695) is 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine.
What is the SMILES notation for 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine?
The canonical SMILES for 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine is Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ncc(N)cc1F.
What is the InChIKey of 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine?
The InChIKey is UOGVNZKFWGVYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4OSi/c1-11-15(16-14(17)8-13(18)9-19-16)12(2)21(20-11)10-22-6-7-23(3,4)5/h8-9H,6-7,10,18H2,1-5H3.
What are the key properties of 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine?
6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine has a molecular weight of 336.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-5-fluoropyridin-3-amine is sourced from PubChem (CID 167527695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).