7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C21H19ClN2O2 — CID 71523095

IUPAC7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCC(CCO)n2c1cc(-c1cccc(Cl)c1)c2-c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-16-8-4-7-15(11-16)18-12-19-21(26)23-13-17(9-10-25)24(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,17,25H,9-10,13H2,(H,23,26)
InChIKeyPDTDCWSXNQVYRG-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.14
Rot. Bonds4

About 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71523095) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71523095
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCC(CCO)n2c1cc(-c1cccc(Cl)c1)c2-c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-16-8-4-7-15(11-16)18-12-19-21(26)23-13-17(9-10-25)24(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,17,25H,9-10,13H2,(H,23,26)
InChIKeyPDTDCWSXNQVYRG-UHFFFAOYSA-N
XLogP4.14
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71523095) is 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C1NCC(CCO)n2c1cc(-c1cccc(Cl)c1)c2-c1ccccc1.
What is the InChIKey of 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is PDTDCWSXNQVYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-16-8-4-7-15(11-16)18-12-19-21(26)23-13-17(9-10-25)24(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,17,25H,9-10,13H2,(H,23,26).
What are the key properties of 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 366.85 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71523095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).