1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol

C21H21FN2O — CID 47054907

IUPAC1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
SMILESOC(CN1CCn2cccc2C1c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H21FN2O/c22-18-9-4-8-17(14-18)20(25)15-24-13-12-23-11-5-10-19(23)21(24)16-6-2-1-3-7-16/h1-11,14,20-21,25H,12-13,15H2
InChIKeySJFFCYPRQWBAEB-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.77
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol

1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol (PubChem CID 47054907) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
PubChem CID47054907
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
SMILESOC(CN1CCn2cccc2C1c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H21FN2O/c22-18-9-4-8-17(14-18)20(25)15-24-13-12-23-11-5-10-19(23)21(24)16-6-2-1-3-7-16/h1-11,14,20-21,25H,12-13,15H2
InChIKeySJFFCYPRQWBAEB-UHFFFAOYSA-N
XLogP3.77
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol (CID 47054907) is 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol is OC(CN1CCn2cccc2C1c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
The InChIKey is SJFFCYPRQWBAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-18-9-4-8-17(14-18)20(25)15-24-13-12-23-11-5-10-19(23)21(24)16-6-2-1-3-7-16/h1-11,14,20-21,25H,12-13,15H2.
What are the key properties of 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol has a molecular weight of 336.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol is sourced from PubChem (CID 47054907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).