1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol

C17H21BrN2O — CID 64784262

IUPAC1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O/c18-14-8-6-13(7-9-14)17(21)12-15-10-11-20(19-15)16-4-2-1-3-5-16/h6-11,16-17,21H,1-5,12H2
InChIKeyXNLZJEVNQTXUDL-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.43
Rot. Bonds4

About 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol

1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol (PubChem CID 64784262) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
PubChem CID64784262
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O/c18-14-8-6-13(7-9-14)17(21)12-15-10-11-20(19-15)16-4-2-1-3-5-16/h6-11,16-17,21H,1-5,12H2
InChIKeyXNLZJEVNQTXUDL-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

Analyze 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 66425230
1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785466
1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
1-(3-bromofuran-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 106886364
2-(1-cyclohexylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105102376
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 106859308
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-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978417

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol (CID 64784262) is 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol is OC(Cc1ccn(C2CCCCC2)n1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
The InChIKey is XNLZJEVNQTXUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-14-8-6-13(7-9-14)17(21)12-15-10-11-20(19-15)16-4-2-1-3-5-16/h6-11,16-17,21H,1-5,12H2.
What are the key properties of 1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
1-(4-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-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64784262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).