1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol

C18H20BrFN4O — CID 164719209

IUPAC1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol
SMILESCCc1ncn(Cc2cn(C)nc2-c2ccc(F)cc2C(C)O)c1Br
InChIInChI=1S/C18H20BrFN4O/c1-4-16-18(19)24(10-21-16)9-12-8-23(3)22-17(12)14-6-5-13(20)7-15(14)11(2)25/h5-8,10-11,25H,4,9H2,1-3H3
InChIKeyFCFDJLRCCORYEJ-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.85
Rot. Bonds5

About 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol

1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol (PubChem CID 164719209) has the molecular formula C18H20BrFN4O and a molecular weight of 407.29 g/mol. Its IUPAC name is 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol
PubChem CID164719209
Molecular FormulaC18H20BrFN4O
Molecular Weight407.29 g/mol
Exact Mass406.08
IUPAC Name1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol
SMILESCCc1ncn(Cc2cn(C)nc2-c2ccc(F)cc2C(C)O)c1Br
InChIInChI=1S/C18H20BrFN4O/c1-4-16-18(19)24(10-21-16)9-12-8-23(3)22-17(12)14-6-5-13(20)7-15(14)11(2)25/h5-8,10-11,25H,4,9H2,1-3H3
InChIKeyFCFDJLRCCORYEJ-UHFFFAOYSA-N
XLogP3.85
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129282703
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol
CID 155551998
2-{2-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]-1H-imidazol-1-yl}-1-phenylethanol
CID 70722138
(4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129282946
(4-{[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]methyl}phenyl)methanol
CID 50948986
(2R,3R)-2-(2,4-Difluorophenyl)-1-(1-imidazolyl)-3-(1-pyrazolyl)-2-butanol
CID 15337562
[2-Fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
CID 68640407
[5-(2-Fluorophenyl)-1-(4-imidazol-1-ylphenyl)pyrazol-4-yl]methanol
CID 69602754
[2-[6-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]methanol
CID 71017405
[2-(2,6-Difluorophenyl)-4-pyridinyl]-[1-methyl-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methanol
CID 91323180
(4R,5R)-3-fluoro-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129282621
(4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129282647

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol (CID 164719209) is 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol is CCc1ncn(Cc2cn(C)nc2-c2ccc(F)cc2C(C)O)c1Br.
What is the InChIKey of 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol?
The InChIKey is FCFDJLRCCORYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4O/c1-4-16-18(19)24(10-21-16)9-12-8-23(3)22-17(12)14-6-5-13(20)7-15(14)11(2)25/h5-8,10-11,25H,4,9H2,1-3H3.
What are the key properties of 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol?
1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol has a molecular weight of 407.29 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).