5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C24H26N4O5 — CID 46078805

IUPAC5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cc(CN2CCn3nc(C(=O)NCCOc4ccccc4)cc3C2=O)cc(OC)c1
InChIInChI=1S/C24H26N4O5/c1-31-19-12-17(13-20(14-19)32-2)16-27-9-10-28-22(24(27)30)15-21(26-28)23(29)25-8-11-33-18-6-4-3-5-7-18/h3-7,12-15H,8-11,16H2,1-2H3,(H,25,29)
InChIKeyNOJPKJUZWQIOTD-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.37
Rot. Bonds9

About 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46078805) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46078805
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cc(CN2CCn3nc(C(=O)NCCOc4ccccc4)cc3C2=O)cc(OC)c1
InChIInChI=1S/C24H26N4O5/c1-31-19-12-17(13-20(14-19)32-2)16-27-9-10-28-22(24(27)30)15-21(26-28)23(29)25-8-11-33-18-6-4-3-5-7-18/h3-7,12-15H,8-11,16H2,1-2H3,(H,25,29)
InChIKeyNOJPKJUZWQIOTD-UHFFFAOYSA-N
XLogP2.37
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078774
N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078802
5-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24716003
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
N-benzyl-5-[(2-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077529
5-benzyl-4-oxo-N-propyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798056
5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077525
5-[(2-methoxyphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077535
5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46169943
5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53086333
5-benzyl-N-(furan-2-ylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077083
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46050032

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46078805) is 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cc(CN2CCn3nc(C(=O)NCCOc4ccccc4)cc3C2=O)cc(OC)c1.
What is the InChIKey of 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is NOJPKJUZWQIOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-31-19-12-17(13-20(14-19)32-2)16-27-9-10-28-22(24(27)30)15-21(26-28)23(29)25-8-11-33-18-6-4-3-5-7-18/h3-7,12-15H,8-11,16H2,1-2H3,(H,25,29).
What are the key properties of 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46078805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).