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

C17H21IN2O — CID 115805134

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
SMILESOC(Cc1ccn(C2CCCCC2)n1)c1ccccc1I
InChIInChI=1S/C17H21IN2O/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
InChIKeyOOMYPUBAWDEMTR-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.27
Rot. Bonds4

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

2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol (PubChem CID 115805134) has the molecular formula C17H21IN2O and a molecular weight of 396.27 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
PubChem CID115805134
Molecular FormulaC17H21IN2O
Molecular Weight396.27 g/mol
Exact Mass396.07
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
SMILESOC(Cc1ccn(C2CCCCC2)n1)c1ccccc1I
InChIInChI=1S/C17H21IN2O/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
InChIKeyOOMYPUBAWDEMTR-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)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-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64785666
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 106859308
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
1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 64785093
1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 115810015
2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978417
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol (CID 115805134) is 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol is OC(Cc1ccn(C2CCCCC2)n1)c1ccccc1I.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol?
The InChIKey is OOMYPUBAWDEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN2O/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 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol?
2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol has a molecular weight of 396.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol is sourced from PubChem (CID 115805134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).