1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol

C15H19FN2O — CID 105079038

IUPAC1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
SMILESCCc1cc(C(O)Cc2cccc(F)c2)n(CC)n1
InChIInChI=1S/C15H19FN2O/c1-3-13-10-14(18(4-2)17-13)15(19)9-11-6-5-7-12(16)8-11/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyYQHMLCDFCCJYFH-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.88
Rot. Bonds5

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

1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol (PubChem CID 105079038) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
PubChem CID105079038
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
SMILESCCc1cc(C(O)Cc2cccc(F)c2)n(CC)n1
InChIInChI=1S/C15H19FN2O/c1-3-13-10-14(18(4-2)17-13)15(19)9-11-6-5-7-12(16)8-11/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyYQHMLCDFCCJYFH-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105084690
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
1-(1,3-diethylpyrazol-5-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 105115124
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405
1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833280
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
CID 105084399
1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 105117842
2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105105538
(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol (CID 105079038) is 1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol is CCc1cc(C(O)Cc2cccc(F)c2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol?
The InChIKey is YQHMLCDFCCJYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-13-10-14(18(4-2)17-13)15(19)9-11-6-5-7-12(16)8-11/h5-8,10,15,19H,3-4,9H2,1-2H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol?
1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol has a molecular weight of 262.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 105079038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).