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

C24H26N4O4 — CID 46078802

IUPACN-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cc(CN2CCn3nc(C(=O)N(C)Cc4ccccc4)cc3C2=O)cc(OC)c1
InChIInChI=1S/C24H26N4O4/c1-26(15-17-7-5-4-6-8-17)23(29)21-14-22-24(30)27(9-10-28(22)25-21)16-18-11-19(31-2)13-20(12-18)32-3/h4-8,11-14H,9-10,15-16H2,1-3H3
InChIKeyYBSOBVHQTYWGDE-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.83
Rot. Bonds7

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

N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46078802) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46078802
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cc(CN2CCn3nc(C(=O)N(C)Cc4ccccc4)cc3C2=O)cc(OC)c1
InChIInChI=1S/C24H26N4O4/c1-26(15-17-7-5-4-6-8-17)23(29)21-14-22-24(30)27(9-10-28(22)25-21)16-18-11-19(31-2)13-20(12-18)32-3/h4-8,11-14H,9-10,15-16H2,1-3H3
InChIKeyYBSOBVHQTYWGDE-UHFFFAOYSA-N
XLogP2.83
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-dibenzyl-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078708
5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078805
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078774
N-benzyl-N-[2-(dimethylamino)ethyl]-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077290
5-benzyl-N-methyl-4-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049849
N-benzyl-5-[(2-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077529
5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049575
5-[(3-methoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 42875223
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049754
5-[(4-chlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875171
5-benzyl-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049596

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46078802) is N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cc(CN2CCn3nc(C(=O)N(C)Cc4ccccc4)cc3C2=O)cc(OC)c1.
What is the InChIKey of N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is YBSOBVHQTYWGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-26(15-17-7-5-4-6-8-17)23(29)21-14-22-24(30)27(9-10-28(22)25-21)16-18-11-19(31-2)13-20(12-18)32-3/h4-8,11-14H,9-10,15-16H2,1-3H3.
What are the key properties of N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46078802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).