1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C17H23BrN2O — CID 115808069

IUPAC1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H23BrN2O/c1-4-15(5-2)20-9-8-14(19-20)11-17(21)13-7-6-12(3)16(18)10-13/h6-10,15,17,21H,4-5,11H2,1-3H3
InChIKeyGXKLSHGSTQLEML-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.59
Rot. Bonds6

About 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 115808069) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID115808069
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H23BrN2O/c1-4-15(5-2)20-9-8-14(19-20)11-17(21)13-7-6-12(3)16(18)10-13/h6-10,15,17,21H,4-5,11H2,1-3H3
InChIKeyGXKLSHGSTQLEML-UHFFFAOYSA-N
XLogP4.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828801
1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 107947554
1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991711
2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
CID 64784265
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(3-bromo-2-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807950
1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
CID 81488850
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 115808069) is 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)c2ccc(C)c(Br)c2)n1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is GXKLSHGSTQLEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-4-15(5-2)20-9-8-14(19-20)11-17(21)13-7-6-12(3)16(18)10-13/h6-10,15,17,21H,4-5,11H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 351.29 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115808069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).