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

C15H13ClFN3O — CID 90032093

IUPAC3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(N)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3O/c1-9(18)13-8-19-6-5-12(16)14(19)15(21)20(13)11-4-2-3-10(17)7-11/h2-9H,18H2,1H3
InChIKeyHYHGSEJRYJUCJC-UHFFFAOYSA-N
MW305.74 g/mol
LogP2.90
Rot. Bonds2

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

3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 90032093) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
PubChem CID90032093
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(N)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3O/c1-9(18)13-8-19-6-5-12(16)14(19)15(21)20(13)11-4-2-3-10(17)7-11/h2-9H,18H2,1H3
InChIKeyHYHGSEJRYJUCJC-UHFFFAOYSA-N
XLogP2.90
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 24817966
N-[2-(4-chlorophenyl)ethyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 24820012
N-(4-chlorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetamide
CID 3842359
1-Methyl-1H-pyrrole-2-carboxylic acid 4-fluoro-benzylamide
CID 11085643
N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 25189693
N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 25189694
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 25189699
N-[(2-fluorophenyl)methyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 10889774
1-Methyl-1H-pyrrole-2-carboxylic acid 3-fluoro-benzylamide
CID 11128161
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 168296113

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one (CID 90032093) is 3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one is CC(N)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is HYHGSEJRYJUCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-9(18)13-8-19-6-5-12(16)14(19)15(21)20(13)11-4-2-3-10(17)7-11/h2-9H,18H2,1H3.
What are the key properties of 3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 305.74 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 90032093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).