2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C18H22N4O — CID 138996560

IUPAC2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(CCn3cc(-c4ccccc4)cn3)CCN12
InChIInChI=1S/C18H22N4O/c23-18-7-6-17-14-20(9-11-22(17)18)8-10-21-13-16(12-19-21)15-4-2-1-3-5-15/h1-5,12-13,17H,6-11,14H2
InChIKeyKNZGVSIJFSSNSK-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.86
Rot. Bonds4

About 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 138996560) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID138996560
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(CCn3cc(-c4ccccc4)cn3)CCN12
InChIInChI=1S/C18H22N4O/c23-18-7-6-17-14-20(9-11-22(17)18)8-10-21-13-16(12-19-21)15-4-2-1-3-5-15/h1-5,12-13,17H,6-11,14H2
InChIKeyKNZGVSIJFSSNSK-UHFFFAOYSA-N
XLogP1.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 138996560) is 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(CCn3cc(-c4ccccc4)cn3)CCN12.
What is the InChIKey of 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is KNZGVSIJFSSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18-7-6-17-14-20(9-11-22(17)18)8-10-21-13-16(12-19-21)15-4-2-1-3-5-15/h1-5,12-13,17H,6-11,14H2.
What are the key properties of 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 310.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylpyrazol-1-yl)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 138996560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).