1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol

C17H21BrN2O — CID 64786012

IUPAC1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCCC2)n1)c1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c18-16-9-5-4-8-15(16)17(21)12-13-10-11-20(19-13)14-6-2-1-3-7-14/h4-5,8-11,14,17,21H,1-3,6-7,12H2
InChIKeyNAYOBZQYXLLTLI-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.43
Rot. Bonds4

About 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol

1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol (PubChem CID 64786012) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
PubChem CID64786012
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCCC2)n1)c1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c18-16-9-5-4-8-15(16)17(21)12-13-10-11-20(19-13)14-6-2-1-3-7-14/h4-5,8-11,14,17,21H,1-3,6-7,12H2
InChIKeyNAYOBZQYXLLTLI-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
CID 115805134
1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 115810015
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 106859308
1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785473
1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(3-bromofuran-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 106886364
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64785666
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 65362107
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 64785093
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 66425230

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol (CID 64786012) is 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol is OC(Cc1ccn(C2CCCCC2)n1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
The InChIKey is NAYOBZQYXLLTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-16-9-5-4-8-15(16)17(21)12-13-10-11-20(19-13)14-6-2-1-3-7-14/h4-5,8-11,14,17,21H,1-3,6-7,12H2.
What are the key properties of 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol has a molecular weight of 349.27 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64786012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).