[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone

C21H19ClN2O — CID 93115137

IUPAC[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCn2cccc2[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2O/c1-15-6-2-3-9-18(15)21(25)24-13-12-23-11-5-10-19(23)20(24)16-7-4-8-17(22)14-16/h2-11,14,20H,12-13H2,1H3/t20-/m0/s1
InChIKeyVHEXUDTWFDMZQU-FQEVSTJZSA-N
MW350.85 g/mol
LogP4.70
Rot. Bonds2

About [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone

[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone (PubChem CID 93115137) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
PubChem CID93115137
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCn2cccc2[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2O/c1-15-6-2-3-9-18(15)21(25)24-13-12-23-11-5-10-19(23)20(24)16-7-4-8-17(22)14-16/h2-11,14,20H,12-13H2,1H3/t20-/m0/s1
InChIKeyVHEXUDTWFDMZQU-FQEVSTJZSA-N
XLogP4.70
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
(2-methylphenyl)-[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859416
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone
CID 42782415
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453
1-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(propan-2-ylamino)ethanone
CID 42782369
[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
CID 93304342
[1-(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methoxyphenyl)methanone
CID 24859702
[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-naphthalen-1-ylmethanone
CID 3318812
4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide
CID 46136058
1-[2-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-cyclopropyl-3,3-dimethylurea
CID 42812982

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone (CID 93115137) is [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCn2cccc2[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone?
The InChIKey is VHEXUDTWFDMZQU-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-15-6-2-3-9-18(15)21(25)24-13-12-23-11-5-10-19(23)20(24)16-7-4-8-17(22)14-16/h2-11,14,20H,12-13H2,1H3/t20-/m0/s1.
What are the key properties of [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone?
[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone has a molecular weight of 350.85 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 93115137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).