1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol

C13H14ClIN2O — CID 114083179

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol
SMILESCCn1ncc(Cl)c1C(C)(O)c1ccc(I)cc1
InChIInChI=1S/C13H14ClIN2O/c1-3-17-12(11(14)8-16-17)13(2,18)9-4-6-10(15)7-5-9/h4-8,18H,3H2,1-2H3
InChIKeyUWUWTVKYXOSTCP-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.42
Rot. Bonds3

About 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol (PubChem CID 114083179) has the molecular formula C13H14ClIN2O and a molecular weight of 376.63 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol
PubChem CID114083179
Molecular FormulaC13H14ClIN2O
Molecular Weight376.63 g/mol
Exact Mass375.98
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol
SMILESCCn1ncc(Cl)c1C(C)(O)c1ccc(I)cc1
InChIInChI=1S/C13H14ClIN2O/c1-3-17-12(11(14)8-16-17)13(2,18)9-4-6-10(15)7-5-9/h4-8,18H,3H2,1-2H3
InChIKeyUWUWTVKYXOSTCP-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol (CID 114083179) is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol is CCn1ncc(Cl)c1C(C)(O)c1ccc(I)cc1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol?
The InChIKey is UWUWTVKYXOSTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2O/c1-3-17-12(11(14)8-16-17)13(2,18)9-4-6-10(15)7-5-9/h4-8,18H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol?
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol has a molecular weight of 376.63 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol is sourced from PubChem (CID 114083179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).