3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide

C20H25N3O2 — CID 24711887

IUPAC3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide
SMILESCc1cccc(C2c3cccn3CCN2C(=O)CC(=O)NC(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-14(2)21-18(24)13-19(25)23-11-10-22-9-5-8-17(22)20(23)16-7-4-6-15(3)12-16/h4-9,12,14,20H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyDLNKKHRXHLIDTD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.64
Rot. Bonds4

About 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide

3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide (PubChem CID 24711887) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide
PubChem CID24711887
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide
SMILESCc1cccc(C2c3cccn3CCN2C(=O)CC(=O)NC(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-14(2)21-18(24)13-19(25)23-11-10-22-9-5-8-17(22)20(23)16-7-4-6-15(3)12-16/h4-9,12,14,20H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyDLNKKHRXHLIDTD-UHFFFAOYSA-N
XLogP2.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide
CID 46136058
3-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 93143162
N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide
CID 93304963
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(propan-2-ylamino)ethanone
CID 42779338
1-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(propan-2-ylamino)ethanone
CID 42782369
N-ethyl-N-[2-[(1S)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 11922831
3-(3-methylphenyl)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 134054526
(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 93115169
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
N-(2-methoxyethyl)-2-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 42812277
1-[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylpropylamino)ethanone
CID 42782363
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide (CID 24711887) is 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide is Cc1cccc(C2c3cccn3CCN2C(=O)CC(=O)NC(C)C)c1.
What is the InChIKey of 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide?
The InChIKey is DLNKKHRXHLIDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)21-18(24)13-19(25)23-11-10-22-9-5-8-17(22)20(23)16-7-4-6-15(3)12-16/h4-9,12,14,20H,10-11,13H2,1-3H3,(H,21,24).
What are the key properties of 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide?
3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide is sourced from PubChem (CID 24711887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).