N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C22H20BrN5O2 — CID 50926133

IUPACN-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4Br)ncn3n2)cc1
InChIInChI=1S/C22H20BrN5O2/c1-3-15-5-7-16(8-6-15)19-11-20-22(30)27(24-13-28(20)26-19)12-21(29)25-18-9-4-14(2)10-17(18)23/h4-11,13H,3,12H2,1-2H3,(H,25,29)
InChIKeyMNXRWRMLKWPXPL-UHFFFAOYSA-N
MW466.34 g/mol
LogP3.83
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 50926133) has the molecular formula C22H20BrN5O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID50926133
Molecular FormulaC22H20BrN5O2
Molecular Weight466.34 g/mol
Exact Mass465.08
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4Br)ncn3n2)cc1
InChIInChI=1S/C22H20BrN5O2/c1-3-15-5-7-16(8-6-15)19-11-20-22(30)27(24-13-28(20)26-19)12-21(29)25-18-9-4-14(2)10-17(18)23/h4-11,13H,3,12H2,1-2H3,(H,25,29)
InChIKeyMNXRWRMLKWPXPL-UHFFFAOYSA-N
XLogP3.83
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926136
N-[4-(dimethylamino)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926054
2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 46857622
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926077
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 29281514
N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857565
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-methoxyethyl)acetamide
CID 50926067
N-[2-(diethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953530
N-[2-(dimethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953520
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50926052
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 50926057
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 20953511

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 50926133) is N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4Br)ncn3n2)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is MNXRWRMLKWPXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O2/c1-3-15-5-7-16(8-6-15)19-11-20-22(30)27(24-13-28(20)26-19)12-21(29)25-18-9-4-14(2)10-17(18)23/h4-11,13H,3,12H2,1-2H3,(H,25,29).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 466.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 50926133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).