2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide

C28H28N4O4 — CID 73340774

IUPAC2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCCOc1ccc(C2CC3C(=O)N(CC(=O)Nc4ccc(Oc5ccccc5)cc4)C=CN3N2)cc1
InChIInChI=1S/C28H28N4O4/c1-2-35-22-12-8-20(9-13-22)25-18-26-28(34)31(16-17-32(26)30-25)19-27(33)29-21-10-14-24(15-11-21)36-23-6-4-3-5-7-23/h3-17,25-26,30H,2,18-19H2,1H3,(H,29,33)
InChIKeyLGCPMITVLWQDJZ-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.45
Rot. Bonds8

About 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide

2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 73340774) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID73340774
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCCOc1ccc(C2CC3C(=O)N(CC(=O)Nc4ccc(Oc5ccccc5)cc4)C=CN3N2)cc1
InChIInChI=1S/C28H28N4O4/c1-2-35-22-12-8-20(9-13-22)25-18-26-28(34)31(16-17-32(26)30-25)19-27(33)29-21-10-14-24(15-11-21)36-23-6-4-3-5-7-23/h3-17,25-26,30H,2,18-19H2,1H3,(H,29,33)
InChIKeyLGCPMITVLWQDJZ-UHFFFAOYSA-N
XLogP4.45
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 84822184
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73340784
2-[2-(4-butoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 73327670
N-(3-methylphenyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 73340645
ethyl 4-[[2-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 75550520
N-(3,4-dimethoxyphenyl)-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 74776132
2-(4-ethoxyphenyl)-5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156591414
2-[5-(4-ethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 20855388
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
2-[(5E)-2,4-dioxo-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 16627113
2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 98402292
N-[4-(4-ethoxyphenoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60615952

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide (CID 73340774) is 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide is CCOc1ccc(C2CC3C(=O)N(CC(=O)Nc4ccc(Oc5ccccc5)cc4)C=CN3N2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is LGCPMITVLWQDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-2-35-22-12-8-20(9-13-22)25-18-26-28(34)31(16-17-32(26)30-25)19-27(33)29-21-10-14-24(15-11-21)36-23-6-4-3-5-7-23/h3-17,25-26,30H,2,18-19H2,1H3,(H,29,33).
What are the key properties of 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide?
2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 484.56 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 73340774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).