(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C21H19Cl2N3O — CID 8670304

IUPAC(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2N3O/c1-14-4-6-15(7-5-14)20-19-3-2-10-25(19)11-12-26(20)21(27)24-16-8-9-17(22)18(23)13-16/h2-10,13,20H,11-12H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyYWBJALFEDGRRBE-HXUWFJFHSA-N
MW400.31 g/mol
LogP5.74
Rot. Bonds2

About (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 8670304) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.31 g/mol. Its IUPAC name is (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID8670304
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.31 g/mol
Exact Mass399.09
IUPAC Name(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2N3O/c1-14-4-6-15(7-5-14)20-19-3-2-10-25(19)11-12-26(20)21(27)24-16-8-9-17(22)18(23)13-16/h2-10,13,20H,11-12H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyYWBJALFEDGRRBE-HXUWFJFHSA-N
XLogP5.74
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(3,4-dichlorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387321
(1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546563
N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
N-(3,4-dichlorophenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17486899
N-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16813031
N-(4-tert-butylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994589
(1R)-N,1-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589543
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994483
(1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387512
N-(3-methylphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810939
(1R)-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589895
1-(3,4-dichlorophenyl)-N-phenyl-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 42741062

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 8670304) is (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is YWBJALFEDGRRBE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c1-14-4-6-15(7-5-14)20-19-3-2-10-25(19)11-12-26(20)21(27)24-16-8-9-17(22)18(23)13-16/h2-10,13,20H,11-12H2,1H3,(H,24,27)/t20-/m1/s1.
What are the key properties of (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 400.31 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 8670304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).