2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol

C14H16ClFN2O — CID 105086935

IUPAC2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccc(F)cc2Cl)n(C)n1
InChIInChI=1S/C14H16ClFN2O/c1-3-11-8-13(18(2)17-11)14(19)6-9-4-5-10(16)7-12(9)15/h4-5,7-8,14,19H,3,6H2,1-2H3
InChIKeyUTUFQQPGJSFURA-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.05
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol

2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 105086935) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID105086935
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccc(F)cc2Cl)n(C)n1
InChIInChI=1S/C14H16ClFN2O/c1-3-11-8-13(18(2)17-11)14(19)6-9-4-5-10(16)7-12(9)15/h4-5,7-8,14,19H,3,6H2,1-2H3
InChIKeyUTUFQQPGJSFURA-UHFFFAOYSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131290
2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63960769
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101039
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105117177
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol
CID 105123108
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105089506
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220171
2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105105538

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 105086935) is 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1cc(C(O)Cc2ccc(F)cc2Cl)n(C)n1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is UTUFQQPGJSFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-3-11-8-13(18(2)17-11)14(19)6-9-4-5-10(16)7-12(9)15/h4-5,7-8,14,19H,3,6H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 282.75 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 105086935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).