1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol

C14H14Br2F2N2O — CID 107538274

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1nn(C)c(CC(O)c2ccc(F)c(F)c2Br)c1Br
InChIInChI=1S/C14H14Br2F2N2O/c1-3-9-13(16)10(20(2)19-9)6-11(21)7-4-5-8(17)14(18)12(7)15/h4-5,11,21H,3,6H2,1-2H3
InChIKeyDYZXQNGVGXZNFC-UHFFFAOYSA-N
MW424.08 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol

1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 107538274) has the molecular formula C14H14Br2F2N2O and a molecular weight of 424.08 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID107538274
Molecular FormulaC14H14Br2F2N2O
Molecular Weight424.08 g/mol
Exact Mass421.94
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1nn(C)c(CC(O)c2ccc(F)c(F)c2Br)c1Br
InChIInChI=1S/C14H14Br2F2N2O/c1-3-9-13(16)10(20(2)19-9)6-11(21)7-4-5-8(17)14(18)12(7)15/h4-5,11,21H,3,6H2,1-2H3
InChIKeyDYZXQNGVGXZNFC-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.08
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107538503
1-(4-aminophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695456
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103386
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107538377
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethanol
CID 105105629
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105105696
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105694
4-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]-3-ethyl-1-methylpyrazole
CID 79455153
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol
CID 115814442
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105105690
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115814385
1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 107538543

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 107538274) is 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1nn(C)c(CC(O)c2ccc(F)c(F)c2Br)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is DYZXQNGVGXZNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2F2N2O/c1-3-9-13(16)10(20(2)19-9)6-11(21)7-4-5-8(17)14(18)12(7)15/h4-5,11,21H,3,6H2,1-2H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol?
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 424.08 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 107538274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).