2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol

C13H14ClFN2O — CID 114220171

IUPAC2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cc(F)ccc2Cl)nn1C
InChIInChI=1S/C13H14ClFN2O/c1-8-5-12(16-17(8)2)13(18)7-9-6-10(15)3-4-11(9)14/h3-6,13,18H,7H2,1-2H3
InChIKeyUPGZSLIPQVJKAU-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol

2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 114220171) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
PubChem CID114220171
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cc(F)ccc2Cl)nn1C
InChIInChI=1S/C13H14ClFN2O/c1-8-5-12(16-17(8)2)13(18)7-9-6-10(15)3-4-11(9)14/h3-6,13,18H,7H2,1-2H3
InChIKeyUPGZSLIPQVJKAU-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
CID 114033903
2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220168
2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220124
2-(2-chloro-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 102623179
2-(2-chloro-5-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373694
2-(2-chloro-5-fluorophenyl)-1-pyridin-4-ylethanol
CID 102617218
2-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethanol
CID 102617275
2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105086935
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 114220139
2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947895
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol (CID 114220171) is 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(C(O)Cc2cc(F)ccc2Cl)nn1C.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is UPGZSLIPQVJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-8-5-12(16-17(8)2)13(18)7-9-6-10(15)3-4-11(9)14/h3-6,13,18H,7H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 268.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114220171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).