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

C16H19FN2O — CID 47019377

IUPAC1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
SMILESCC1c2cccn2CCN1CC(O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-12-15-3-2-8-18(15)9-10-19(12)11-16(20)13-4-6-14(17)7-5-13/h2-8,12,16,20H,9-11H2,1H3
InChIKeyBWBNAHOSDQEWRC-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.74
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol (PubChem CID 47019377) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
PubChem CID47019377
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
SMILESCC1c2cccn2CCN1CC(O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-12-15-3-2-8-18(15)9-10-19(12)11-16(20)13-4-6-14(17)7-5-13/h2-8,12,16,20H,9-11H2,1H3
InChIKeyBWBNAHOSDQEWRC-UHFFFAOYSA-N
XLogP2.74
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol (CID 47019377) is 1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol is CC1c2cccn2CCN1CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
The InChIKey is BWBNAHOSDQEWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12-15-3-2-8-18(15)9-10-19(12)11-16(20)13-4-6-14(17)7-5-13/h2-8,12,16,20H,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol?
1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol has a molecular weight of 274.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol is sourced from PubChem (CID 47019377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).