(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol

C16H20FN3O2 — CID 95288616

IUPAC(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
SMILESO[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccccc1F
InChIInChI=1S/C16H20FN3O2/c17-15-5-2-1-4-14(15)16(21)12-19-8-9-22-13(10-19)11-20-7-3-6-18-20/h1-7,13,16,21H,8-12H2/t13-,16-/m0/s1
InChIKeyPUFHEFLHRNJXRE-BBRMVZONSA-N
MW305.35 g/mol
LogP1.46
Rot. Bonds5

About (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol

(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol (PubChem CID 95288616) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
PubChem CID95288616
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
SMILESO[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccccc1F
InChIInChI=1S/C16H20FN3O2/c17-15-5-2-1-4-14(15)16(21)12-19-8-9-22-13(10-19)11-20-7-3-6-18-20/h1-7,13,16,21H,8-12H2/t13-,16-/m0/s1
InChIKeyPUFHEFLHRNJXRE-BBRMVZONSA-N
XLogP1.46
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
(1R)-1-(3,4-dimethylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841952
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100843607
(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100842326
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 129448916
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843595
(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94176327
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 124545101
(1S)-2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(2-fluorophenyl)ethanol
CID 129331030
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 98172915
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
CID 100841984

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol?
The IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol (CID 95288616) is (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol is O[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccccc1F.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol?
The InChIKey is PUFHEFLHRNJXRE-BBRMVZONSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-15-5-2-1-4-14(15)16(21)12-19-8-9-22-13(10-19)11-20-7-3-6-18-20/h1-7,13,16,21H,8-12H2/t13-,16-/m0/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol?
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol has a molecular weight of 305.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol is sourced from PubChem (CID 95288616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).