1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C22H22ClN3O — CID 20965127

IUPAC1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCn2cccc2C1Cc1ccccc1
InChIInChI=1S/C22H22ClN3O/c1-16-9-10-18(23)15-19(16)24-22(27)26-13-12-25-11-5-8-20(25)21(26)14-17-6-3-2-4-7-17/h2-11,15,21H,12-14H2,1H3,(H,24,27)
InChIKeySNVJXXBIECOVOB-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.28
Rot. Bonds3

About 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 20965127) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID20965127
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCn2cccc2C1Cc1ccccc1
InChIInChI=1S/C22H22ClN3O/c1-16-9-10-18(23)15-19(16)24-22(27)26-13-12-25-11-5-8-20(25)21(26)14-17-6-3-2-4-7-17/h2-11,15,21H,12-14H2,1H3,(H,24,27)
InChIKeySNVJXXBIECOVOB-UHFFFAOYSA-N
XLogP5.28
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(5-chloro-2-methylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711934
1-benzyl-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965148
1-benzyl-N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965123
1-benzyl-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965114
(1S)-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711977
N-(5-chloro-2-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965013
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965147
N-(5-chloro-2-methoxyphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965172
(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92712035
N-(2,4-dichlorophenyl)-1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 42742144
(1R)-1-(2,4-dichlorophenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 8670295
1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61192230

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 20965127) is 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)N1CCn2cccc2C1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is SNVJXXBIECOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16-9-10-18(23)15-19(16)24-22(27)26-13-12-25-11-5-8-20(25)21(26)14-17-6-3-2-4-7-17/h2-11,15,21H,12-14H2,1H3,(H,24,27).
What are the key properties of 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-chloro-2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20965127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).