2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol

C13H14ClFN2O — CID 55143217

IUPAC2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(C(O)Cc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H14ClFN2O/c1-2-17-8-10(7-16-17)13(18)5-9-3-4-11(15)6-12(9)14/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyAUSQCIUAECAFCA-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.97
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol

2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol (PubChem CID 55143217) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol
PubChem CID55143217
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(C(O)Cc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H14ClFN2O/c1-2-17-8-10(7-16-17)13(18)5-9-3-4-11(15)6-12(9)14/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyAUSQCIUAECAFCA-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol (CID 55143217) is 2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol is CCn1cc(C(O)Cc2ccc(F)cc2Cl)cn1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol?
The InChIKey is AUSQCIUAECAFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-2-17-8-10(7-16-17)13(18)5-9-3-4-11(15)6-12(9)14/h3-4,6-8,13,18H,2,5H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol?
2-(2-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)ethanol has a molecular weight of 268.72 g/mol, XLogP of 2.97, 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-(1-ethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 55143217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).