N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide

C25H28N4O4 — CID 46344482

IUPACN-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)CN2CCn3nc(-c4ccc(OC)cc4)cc3C2=O)cc1
InChIInChI=1S/C25H28N4O4/c1-3-33-21-8-4-18(5-9-21)12-13-26-24(30)17-28-14-15-29-23(25(28)31)16-22(27-29)19-6-10-20(32-2)11-7-19/h4-11,16H,3,12-15,17H2,1-2H3,(H,26,30)
InChIKeyJJNHPDFKUXVIFV-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.77
Rot. Bonds9

About N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 46344482) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID46344482
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)CN2CCn3nc(-c4ccc(OC)cc4)cc3C2=O)cc1
InChIInChI=1S/C25H28N4O4/c1-3-33-21-8-4-18(5-9-21)12-13-26-24(30)17-28-14-15-29-23(25(28)31)16-22(27-29)19-6-10-20(32-2)11-7-19/h4-11,16H,3,12-15,17H2,1-2H3,(H,26,30)
InChIKeyJJNHPDFKUXVIFV-UHFFFAOYSA-N
XLogP2.77
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20956251
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 121106620
5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 44589392
N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953669
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050345
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29281740
(6R)-N-benzyl-5-[(4-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739351
2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 20956227
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 20886561
2-(4-methoxyphenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 44589373

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 46344482) is N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide is CCOc1ccc(CCNC(=O)CN2CCn3nc(-c4ccc(OC)cc4)cc3C2=O)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is JJNHPDFKUXVIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-3-33-21-8-4-18(5-9-21)12-13-26-24(30)17-28-14-15-29-23(25(28)31)16-22(27-29)19-6-10-20(32-2)11-7-19/h4-11,16H,3,12-15,17H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 46344482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).