(5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol

C15H25BrN4O2Si — CID 166559762

IUPAC(5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
SMILESCCn1ncc(C(O)c2nccn2COCC[Si](C)(C)C)c1Br
InChIInChI=1S/C15H25BrN4O2Si/c1-5-20-14(16)12(10-18-20)13(21)15-17-6-7-19(15)11-22-8-9-23(2,3)4/h6-7,10,13,21H,5,8-9,11H2,1-4H3
InChIKeyGGEAXMCDHHCZBB-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.26
Rot. Bonds8

About (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol

(5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol (PubChem CID 166559762) has the molecular formula C15H25BrN4O2Si and a molecular weight of 401.38 g/mol. Its IUPAC name is (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name(5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
PubChem CID166559762
Molecular FormulaC15H25BrN4O2Si
Molecular Weight401.38 g/mol
Exact Mass400.09
IUPAC Name(5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
SMILESCCn1ncc(C(O)c2nccn2COCC[Si](C)(C)C)c1Br
InChIInChI=1S/C15H25BrN4O2Si/c1-5-20-14(16)12(10-18-20)13(21)15-17-6-7-19(15)11-22-8-9-23(2,3)4/h6-7,10,13,21H,5,8-9,11H2,1-4H3
InChIKeyGGEAXMCDHHCZBB-UHFFFAOYSA-N
XLogP3.26
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol 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-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
The IUPAC name of (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol (CID 166559762) is (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol.
What is the SMILES notation for (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
The canonical SMILES for (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol is CCn1ncc(C(O)c2nccn2COCC[Si](C)(C)C)c1Br.
What is the InChIKey of (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
The InChIKey is GGEAXMCDHHCZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O2Si/c1-5-20-14(16)12(10-18-20)13(21)15-17-6-7-19(15)11-22-8-9-23(2,3)4/h6-7,10,13,21H,5,8-9,11H2,1-4H3.
What are the key properties of (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
(5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol has a molecular weight of 401.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-ethylpyrazol-4-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 166559762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).