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

C18H22ClN3O — CID 3241969

IUPACN-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H22ClN3O/c1-3-6-16-17-10-9-13(2)21(17)11-12-22(16)18(23)20-15-8-5-4-7-14(15)19/h4-5,7-10,16H,3,6,11-12H2,1-2H3,(H,20,23)
InChIKeyXXGYLVGJPUMZGF-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.84
Rot. Bonds3

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

N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 3241969) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID3241969
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H22ClN3O/c1-3-6-16-17-10-9-13(2)21(17)11-12-22(16)18(23)20-15-8-5-4-7-14(15)19/h4-5,7-10,16H,3,6,11-12H2,1-2H3,(H,20,23)
InChIKeyXXGYLVGJPUMZGF-UHFFFAOYSA-N
XLogP4.84
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-chlorophenyl)-6-methyl-1-propyl-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-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 3241969) is N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XXGYLVGJPUMZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-6-16-17-10-9-13(2)21(17)11-12-22(16)18(23)20-15-8-5-4-7-14(15)19/h4-5,7-10,16H,3,6,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 3241969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).