2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol

C13H14F2N2O — CID 114220168

IUPAC2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2c(F)cccc2F)nn1C
InChIInChI=1S/C13H14F2N2O/c1-8-6-12(16-17(8)2)13(18)7-9-10(14)4-3-5-11(9)15/h3-6,13,18H,7H2,1-2H3
InChIKeyDQCQIUIPCMXDRG-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.28
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol

2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 114220168) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
PubChem CID114220168
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2c(F)cccc2F)nn1C
InChIInChI=1S/C13H14F2N2O/c1-8-6-12(16-17(8)2)13(18)7-9-10(14)4-3-5-11(9)15/h3-6,13,18H,7H2,1-2H3
InChIKeyDQCQIUIPCMXDRG-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220171
2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220124
1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 114220139
2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 115836004
3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile
CID 131490844
2-(2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105133056
2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105133084
2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
CID 114552917
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114220113
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
2-(2-chloro-6-fluorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319210

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol (CID 114220168) is 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(C(O)Cc2c(F)cccc2F)nn1C.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is DQCQIUIPCMXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8-6-12(16-17(8)2)13(18)7-9-10(14)4-3-5-11(9)15/h3-6,13,18H,7H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 252.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114220168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).