1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C16H20Br2N2O — CID 107947554

IUPAC1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2ccc(Br)cc2Br)n1
InChIInChI=1S/C16H20Br2N2O/c1-3-13(4-2)20-8-7-12(19-20)10-16(21)14-6-5-11(17)9-15(14)18/h5-9,13,16,21H,3-4,10H2,1-2H3
InChIKeyGKVFSPKWJQSXAH-UHFFFAOYSA-N
MW416.16 g/mol
LogP5.05
Rot. Bonds6

About 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 107947554) has the molecular formula C16H20Br2N2O and a molecular weight of 416.16 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID107947554
Molecular FormulaC16H20Br2N2O
Molecular Weight416.16 g/mol
Exact Mass413.99
IUPAC Name1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2ccc(Br)cc2Br)n1
InChIInChI=1S/C16H20Br2N2O/c1-3-13(4-2)20-8-7-12(19-20)10-16(21)14-6-5-11(17)9-15(14)18/h5-9,13,16,21H,3-4,10H2,1-2H3
InChIKeyGKVFSPKWJQSXAH-UHFFFAOYSA-N
XLogP5.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.16
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807950
1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115808069
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(2-amino-5-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 82683168
1-(2,5-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976211
1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64784853
1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771163
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116
2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 79431157

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 107947554) is 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)c2ccc(Br)cc2Br)n1.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is GKVFSPKWJQSXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2O/c1-3-13(4-2)20-8-7-12(19-20)10-16(21)14-6-5-11(17)9-15(14)18/h5-9,13,16,21H,3-4,10H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 416.16 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 107947554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).