1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol

C19H20BrFN4O — CID 167387747

IUPAC1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1-n1cncc1Cc1cnn(C2CCC2)c1Br
InChIInChI=1S/C19H20BrFN4O/c1-12(26)17-8-14(21)5-6-18(17)24-11-22-10-16(24)7-13-9-23-25(19(13)20)15-3-2-4-15/h5-6,8-12,15,26H,2-4,7H2,1H3
InChIKeyOOQSWMPHQJEUGN-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.34
Rot. Bonds5

About 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol

1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 167387747) has the molecular formula C19H20BrFN4O and a molecular weight of 419.30 g/mol. Its IUPAC name is 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID167387747
Molecular FormulaC19H20BrFN4O
Molecular Weight419.30 g/mol
Exact Mass418.08
IUPAC Name1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1-n1cncc1Cc1cnn(C2CCC2)c1Br
InChIInChI=1S/C19H20BrFN4O/c1-12(26)17-8-14(21)5-6-18(17)24-11-22-10-16(24)7-13-9-23-25(19(13)20)15-3-2-4-15/h5-6,8-12,15,26H,2-4,7H2,1H3
InChIKeyOOQSWMPHQJEUGN-UHFFFAOYSA-N
XLogP4.34
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{2-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]-1H-imidazol-1-yl}-1-phenylethanol
CID 70722138
US10550089, Example 23
CID 132126705
(R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol
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[1-[2-Fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methyl-pyrazol-4-yl]methanol
CID 67167656
[5-(2-Fluorophenyl)-1-(4-imidazol-1-ylphenyl)pyrazol-4-yl]methanol
CID 69602754
[2-(2,6-Difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol
CID 91323180
(1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 129296695
3-[4-[4-[1-[5-[(1S)-1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]cyclobutan-1-ol
CID 163256223
[2-[1-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol
CID 164718560
1-[2-[1-[[5-Bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol
CID 164718731
1-[2-[1-[[5-Bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol
CID 164718821

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol (CID 167387747) is 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol is CC(O)c1cc(F)ccc1-n1cncc1Cc1cnn(C2CCC2)c1Br.
What is the InChIKey of 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is OOQSWMPHQJEUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN4O/c1-12(26)17-8-14(21)5-6-18(17)24-11-22-10-16(24)7-13-9-23-25(19(13)20)15-3-2-4-15/h5-6,8-12,15,26H,2-4,7H2,1H3.
What are the key properties of 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol?
1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 419.30 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 167387747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).