2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C24H29N5O5 — CID 75583535

IUPAC2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1ccc(C2CC3C(=O)N(CC(=O)Nc4cc(OC)c(OC)c(OC)c4)N=CN3N2)cc1
InChIInChI=1S/C24H29N5O5/c1-5-15-6-8-16(9-7-15)18-12-19-24(31)28(25-14-29(19)27-18)13-22(30)26-17-10-20(32-2)23(34-4)21(11-17)33-3/h6-11,14,18-19,27H,5,12-13H2,1-4H3,(H,26,30)
InChIKeyINTKBVTUUIDKKR-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.32
Rot. Bonds8

About 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 75583535) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID75583535
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1ccc(C2CC3C(=O)N(CC(=O)Nc4cc(OC)c(OC)c(OC)c4)N=CN3N2)cc1
InChIInChI=1S/C24H29N5O5/c1-5-15-6-8-16(9-7-15)18-12-19-24(31)28(25-14-29(19)27-18)13-22(30)26-17-10-20(32-2)23(34-4)21(11-17)33-3/h6-11,14,18-19,27H,5,12-13H2,1-4H3,(H,26,30)
InChIKeyINTKBVTUUIDKKR-UHFFFAOYSA-N
XLogP2.32
TPSA104.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142121
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73338614
2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 73340812
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42902520
N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 84822184
2-(3,5-dimethylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46800836
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 73340816
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73340843
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16868377
2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53063800

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 75583535) is 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is CCc1ccc(C2CC3C(=O)N(CC(=O)Nc4cc(OC)c(OC)c(OC)c4)N=CN3N2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is INTKBVTUUIDKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-5-15-6-8-16(9-7-15)18-12-19-24(31)28(25-14-29(19)27-18)13-22(30)26-17-10-20(32-2)23(34-4)21(11-17)33-3/h6-11,14,18-19,27H,5,12-13H2,1-4H3,(H,26,30).
What are the key properties of 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 467.53 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 75583535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).