1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol

C12H12BrFN2O — CID 115780374

IUPAC1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C12H12BrFN2O/c1-16-7-8(6-15-16)4-12(17)10-3-2-9(14)5-11(10)13/h2-3,5-7,12,17H,4H2,1H3
InChIKeyZSZTYQZELBWJAV-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.60
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol

1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115780374) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID115780374
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C12H12BrFN2O/c1-16-7-8(6-15-16)4-12(17)10-3-2-9(14)5-11(10)13/h2-3,5-7,12,17H,4H2,1H3
InChIKeyZSZTYQZELBWJAV-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 107947322
1-(2-bromo-4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103778176
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 81304810
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780349
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788296
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
2-(1-methylpyrazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115780286
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-bromo-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47364485

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol (CID 115780374) is 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(CC(O)c2ccc(F)cc2Br)cn1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is ZSZTYQZELBWJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-16-7-8(6-15-16)4-12(17)10-3-2-9(14)5-11(10)13/h2-3,5-7,12,17H,4H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 299.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115780374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).