2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol

C15H17Cl2IN2O — CID 103216924

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2ccc(I)c(Cl)c2)c1Cl
InChIInChI=1S/C15H17Cl2IN2O/c1-3-12-15(17)13(20(4-2)19-12)8-14(21)9-5-6-11(18)10(16)7-9/h5-7,14,21H,3-4,8H2,1-2H3
InChIKeyBKTDRNIMSDQAQP-UHFFFAOYSA-N
MW439.12 g/mol
LogP4.65
Rot. Bonds5

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol (PubChem CID 103216924) has the molecular formula C15H17Cl2IN2O and a molecular weight of 439.12 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
PubChem CID103216924
Molecular FormulaC15H17Cl2IN2O
Molecular Weight439.12 g/mol
Exact Mass437.98
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2ccc(I)c(Cl)c2)c1Cl
InChIInChI=1S/C15H17Cl2IN2O/c1-3-12-15(17)13(20(4-2)19-12)8-14(21)9-5-6-11(18)10(16)7-9/h5-7,14,21H,3-4,8H2,1-2H3
InChIKeyBKTDRNIMSDQAQP-UHFFFAOYSA-N
XLogP4.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.12
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815329
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 81432213
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216893
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572643
1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065787
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815316
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091797
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164228
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
CID 107947613
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105001342
1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 103216978

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol (CID 103216924) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol is CCc1nn(CC)c(CC(O)c2ccc(I)c(Cl)c2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol?
The InChIKey is BKTDRNIMSDQAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2IN2O/c1-3-12-15(17)13(20(4-2)19-12)8-14(21)9-5-6-11(18)10(16)7-9/h5-7,14,21H,3-4,8H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol has a molecular weight of 439.12 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol is sourced from PubChem (CID 103216924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).