1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C16H19BrN2O2S — CID 43994070

IUPAC1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCCS(=O)(=O)N1CCn2cccc2C1c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2S/c1-2-12-22(20,21)19-11-10-18-9-3-4-15(18)16(19)13-5-7-14(17)8-6-13/h3-9,16H,2,10-12H2,1H3
InChIKeyGOBUJKWSEFFTRI-UHFFFAOYSA-N
MW383.31 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 43994070) has the molecular formula C16H19BrN2O2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID43994070
Molecular FormulaC16H19BrN2O2S
Molecular Weight383.31 g/mol
Exact Mass382.04
IUPAC Name1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCCS(=O)(=O)N1CCn2cccc2C1c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2S/c1-2-12-22(20,21)19-11-10-18-9-3-4-15(18)16(19)13-5-7-14(17)8-6-13/h3-9,16H,2,10-12H2,1H3
InChIKeyGOBUJKWSEFFTRI-UHFFFAOYSA-N
XLogP3.40
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554106
(1R)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554107
2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994328
(1S)-2-(4-bromophenyl)sulfonyl-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553978
1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994077
1-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42782458
(1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 7387277
N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 18580534
(1S)-2-methylsulfonyl-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 93071032
1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 18580481
2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994180
(1S)-2-(4-bromophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553828

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 43994070) is 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CCCS(=O)(=O)N1CCn2cccc2C1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is GOBUJKWSEFFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2S/c1-2-12-22(20,21)19-11-10-18-9-3-4-15(18)16(19)13-5-7-14(17)8-6-13/h3-9,16H,2,10-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 383.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 43994070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).