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

C14H17IN2O — CID 105101093

IUPAC2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)Cc1ccc(I)cc1
InChIInChI=1S/C14H17IN2O/c1-9-14(10(2)17(3)16-9)13(18)8-11-4-6-12(15)7-5-11/h4-7,13,18H,8H2,1-3H3
InChIKeyBNUMKJPCYKICJK-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.92
Rot. Bonds3

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

2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105101093) has the molecular formula C14H17IN2O and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105101093
Molecular FormulaC14H17IN2O
Molecular Weight356.21 g/mol
Exact Mass356.04
IUPAC Name2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)Cc1ccc(I)cc1
InChIInChI=1S/C14H17IN2O/c1-9-14(10(2)17(3)16-9)13(18)8-11-4-6-12(15)7-5-11/h4-7,13,18H,8H2,1-3H3
InChIKeyBNUMKJPCYKICJK-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.92
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

2-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105076709
2-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105088082
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105101681
2-(4-chloro-3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 107894529
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101039
2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123343
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105103448
(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320
2-(4-iodophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117760
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613
2-(2-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105081597
2-(5-bromo-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105126285

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105101093) is 2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1C(O)Cc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is BNUMKJPCYKICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O/c1-9-14(10(2)17(3)16-9)13(18)8-11-4-6-12(15)7-5-11/h4-7,13,18H,8H2,1-3H3.
What are the key properties of 2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 356.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105101093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).