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

C16H16BrFN4O — CID 164718560

IUPAC[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol
SMILESCCn1ncc(Cn2ccnc2-c2ccc(F)cc2CO)c1Br
InChIInChI=1S/C16H16BrFN4O/c1-2-22-15(17)12(8-20-22)9-21-6-5-19-16(21)14-4-3-13(18)7-11(14)10-23/h3-8,23H,2,9-10H2,1H3
InChIKeyIHVIOAJGZMWHKS-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.21
Rot. Bonds5

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

[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol (PubChem CID 164718560) has the molecular formula C16H16BrFN4O and a molecular weight of 379.23 g/mol. Its IUPAC name is [2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol
PubChem CID164718560
Molecular FormulaC16H16BrFN4O
Molecular Weight379.23 g/mol
Exact Mass378.05
IUPAC Name[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol
SMILESCCn1ncc(Cn2ccnc2-c2ccc(F)cc2CO)c1Br
InChIInChI=1S/C16H16BrFN4O/c1-2-22-15(17)12(8-20-22)9-21-6-5-19-16(21)14-4-3-13(18)7-11(14)10-23/h3-8,23H,2,9-10H2,1H3
InChIKeyIHVIOAJGZMWHKS-UHFFFAOYSA-N
XLogP3.21
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol?
The IUPAC name of [2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol (CID 164718560) is [2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol is CCn1ncc(Cn2ccnc2-c2ccc(F)cc2CO)c1Br.
What is the InChIKey of [2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol?
The InChIKey is IHVIOAJGZMWHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O/c1-2-22-15(17)12(8-20-22)9-21-6-5-19-16(21)14-4-3-13(18)7-11(14)10-23/h3-8,23H,2,9-10H2,1H3.
What are the key properties of [2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol?
[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol has a molecular weight of 379.23 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol is sourced from PubChem (CID 164718560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).