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

C17H20ClN3O — CID 20885999

IUPACN-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O/c1-3-15-16-9-8-12(2)20(16)10-11-21(15)17(22)19-14-7-5-4-6-13(14)18/h4-9,15H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyWUBUHLYHONUTQA-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.45
Rot. Bonds2

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

N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 20885999) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID20885999
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O/c1-3-15-16-9-8-12(2)20(16)10-11-21(15)17(22)19-14-7-5-4-6-13(14)18/h4-9,15H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyWUBUHLYHONUTQA-UHFFFAOYSA-N
XLogP4.45
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 20885999) is N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is WUBUHLYHONUTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-3-15-16-9-8-12(2)20(16)10-11-21(15)17(22)19-14-7-5-4-6-13(14)18/h4-9,15H,3,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20885999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).