(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol

C15H13BrFIN4O — CID 164719424

IUPAC(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol
SMILESCCn1ncc(C(O)c2cncn2-c2ccc(F)cc2I)c1Br
InChIInChI=1S/C15H13BrFIN4O/c1-2-22-15(16)10(6-20-22)14(23)13-7-19-8-21(13)12-4-3-9(17)5-11(12)18/h3-8,14,23H,2H2,1H3
InChIKeyHCGOBXQNYKIHFP-UHFFFAOYSA-N
MW491.10 g/mol
LogP3.68
Rot. Bonds4

About (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol

(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol (PubChem CID 164719424) has the molecular formula C15H13BrFIN4O and a molecular weight of 491.10 g/mol. Its IUPAC name is (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol
PubChem CID164719424
Molecular FormulaC15H13BrFIN4O
Molecular Weight491.10 g/mol
Exact Mass489.93
IUPAC Name(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol
SMILESCCn1ncc(C(O)c2cncn2-c2ccc(F)cc2I)c1Br
InChIInChI=1S/C15H13BrFIN4O/c1-2-22-15(16)10(6-20-22)14(23)13-7-19-8-21(13)12-4-3-9(17)5-11(12)18/h3-8,14,23H,2H2,1H3
InChIKeyHCGOBXQNYKIHFP-UHFFFAOYSA-N
XLogP3.68
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.10
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-Fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methyl-pyrazol-4-yl]methanol
CID 67167656
5-Bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole
CID 164718641
1-[2-[5-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol
CID 164719116
1-[2-[4-[(5-Bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol
CID 164719209
1-[2-[1-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol
CID 164719279
1-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole
CID 164719435
(5-Bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)triazol-4-yl]methanol
CID 164719519
1-[2-[2-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol
CID 166560259
1-[2-[5-[(5-Bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol
CID 167387747
1-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole
CID 167387813
5-Bromo-1-ethyl-4-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]pyrazole
CID 175401147
5-Bromo-1-ethyl-4-[[3-(4-fluorophenyl)imidazol-4-yl]methyl]pyrazole
CID 175413263

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol?
The IUPAC name of (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol (CID 164719424) is (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol.
What is the SMILES notation for (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol?
The canonical SMILES for (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol is CCn1ncc(C(O)c2cncn2-c2ccc(F)cc2I)c1Br.
What is the InChIKey of (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol?
The InChIKey is HCGOBXQNYKIHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFIN4O/c1-2-22-15(16)10(6-20-22)14(23)13-7-19-8-21(13)12-4-3-9(17)5-11(12)18/h3-8,14,23H,2H2,1H3.
What are the key properties of (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol?
(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol has a molecular weight of 491.10 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol is sourced from PubChem (CID 164719424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).