N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C17H20BrN3O — CID 22510868

IUPACN-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O/c1-3-15-16-9-4-12(2)20(16)10-11-21(15)17(22)19-14-7-5-13(18)6-8-14/h4-9,15H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyBAFKUXIPEAJBAM-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.56
Rot. Bonds2

About N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 22510868) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID22510868
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O/c1-3-15-16-9-4-12(2)20(16)10-11-21(15)17(22)19-14-7-5-13(18)6-8-14/h4-9,15H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyBAFKUXIPEAJBAM-UHFFFAOYSA-N
XLogP4.56
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide 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 N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 22510868) is N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCC1c2ccc(C)n2CCN1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is BAFKUXIPEAJBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-3-15-16-9-4-12(2)20(16)10-11-21(15)17(22)19-14-7-5-13(18)6-8-14/h4-9,15H,3,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 22510868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).