1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol

C13H15FN2O — CID 105077036

IUPAC1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
SMILESCc1cc(C(O)Cc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C13H15FN2O/c1-9-7-12(16(2)15-9)13(17)8-10-3-5-11(14)6-4-10/h3-7,13,17H,8H2,1-2H3
InChIKeyCSKZISHEWUZPCJ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.14
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol

1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol (PubChem CID 105077036) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
PubChem CID105077036
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
SMILESCc1cc(C(O)Cc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C13H15FN2O/c1-9-7-12(16(2)15-9)13(17)8-10-3-5-11(14)6-4-10/h3-7,13,17H,8H2,1-2H3
InChIKeyCSKZISHEWUZPCJ-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 103043648
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105086618
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065836
1-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122958
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole
CID 66041885
3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598009
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
CID 105122769
1-(2,5-dimethylpyrazol-3-yl)-3-ethylpentan-1-ol
CID 105122554
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105539
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131290
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 105091094

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol (CID 105077036) is 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol is Cc1cc(C(O)Cc2ccc(F)cc2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol?
The InChIKey is CSKZISHEWUZPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9-7-12(16(2)15-9)13(17)8-10-3-5-11(14)6-4-10/h3-7,13,17H,8H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol?
1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol has a molecular weight of 234.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 105077036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).