1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol

C17H21BrN2O — CID 115810015

IUPAC1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESCc1ccc(Br)c(C(O)Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H21BrN2O/c1-12-6-7-16(18)15(10-12)17(21)11-13-8-9-20(19-13)14-4-2-3-5-14/h6-10,14,17,21H,2-5,11H2,1H3
InChIKeySUZPFAZFSZUNSJ-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol

1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (PubChem CID 115810015) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
PubChem CID115810015
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESCc1ccc(Br)c(C(O)Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H21BrN2O/c1-12-6-7-16(18)15(10-12)17(21)11-13-8-9-20(19-13)14-4-2-3-5-14/h6-10,14,17,21H,2-5,11H2,1H3
InChIKeySUZPFAZFSZUNSJ-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64786012
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
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1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
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2-(1-cyclohexylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105102376
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
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1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(3-bromofuran-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 106886364
2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105102425
2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
CID 115805134
1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977452
1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785473
1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64785666

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (CID 115810015) is 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol is Cc1ccc(Br)c(C(O)Cc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The InChIKey is SUZPFAZFSZUNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-12-6-7-16(18)15(10-12)17(21)11-13-8-9-20(19-13)14-4-2-3-5-14/h6-10,14,17,21H,2-5,11H2,1H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol has a molecular weight of 349.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115810015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).