8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one

C15H12ClFN2O — CID 90032438

IUPAC8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCCc1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H12ClFN2O/c1-2-11-9-18-7-6-13(16)14(18)15(20)19(11)12-5-3-4-10(17)8-12/h3-9H,2H2,1H3
InChIKeyXBSZLZCFOUQJEC-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.45
Rot. Bonds2

About 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one

8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 90032438) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
PubChem CID90032438
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCCc1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H12ClFN2O/c1-2-11-9-18-7-6-13(16)14(18)15(20)19(11)12-5-3-4-10(17)8-12/h3-9H,2H2,1H3
InChIKeyXBSZLZCFOUQJEC-UHFFFAOYSA-N
XLogP3.45
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one (CID 90032438) is 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one is CCc1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is XBSZLZCFOUQJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-2-11-9-18-7-6-13(16)14(18)15(20)19(11)12-5-3-4-10(17)8-12/h3-9H,2H2,1H3.
What are the key properties of 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 290.73 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 90032438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).