(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol

C15H19FN2O — CID 82695199

IUPAC(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol
SMILESCCc1cc(CC)n(-c2cccc(F)c2[C@H](C)O)n1
InChIInChI=1S/C15H19FN2O/c1-4-11-9-12(5-2)18(17-11)14-8-6-7-13(16)15(14)10(3)19/h6-10,19H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyTUHOSTFRHLSBEW-JTQLQIEISA-N
MW262.33 g/mol
LogP3.19
Rot. Bonds4

About (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol

(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol (PubChem CID 82695199) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol
PubChem CID82695199
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol
SMILESCCc1cc(CC)n(-c2cccc(F)c2[C@H](C)O)n1
InChIInChI=1S/C15H19FN2O/c1-4-11-9-12(5-2)18(17-11)14-8-6-7-13(16)15(14)10(3)19/h6-10,19H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyTUHOSTFRHLSBEW-JTQLQIEISA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol (CID 82695199) is (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol is CCc1cc(CC)n(-c2cccc(F)c2[C@H](C)O)n1.
What is the InChIKey of (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol?
The InChIKey is TUHOSTFRHLSBEW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN2O/c1-4-11-9-12(5-2)18(17-11)14-8-6-7-13(16)15(14)10(3)19/h6-10,19H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol?
(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol has a molecular weight of 262.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 82695199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).