2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide

C19H12BrCl2N5O2 — CID 53331090

IUPAC2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12BrCl2N5O2/c20-12-3-1-11(2-4-12)16-8-17-19(29)26(23-10-27(17)25-16)9-18(28)24-15-6-13(21)5-14(22)7-15/h1-8,10H,9H2,(H,24,28)
InChIKeyWHVBXWKPUTWXBW-UHFFFAOYSA-N
MW493.15 g/mol
LogP4.27
Rot. Bonds4

About 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide

2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 53331090) has the molecular formula C19H12BrCl2N5O2 and a molecular weight of 493.15 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide
PubChem CID53331090
Molecular FormulaC19H12BrCl2N5O2
Molecular Weight493.15 g/mol
Exact Mass490.96
IUPAC Name2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12BrCl2N5O2/c20-12-3-1-11(2-4-12)16-8-17-19(29)26(23-10-27(17)25-16)9-18(28)24-15-6-13(21)5-14(22)7-15/h1-8,10H,9H2,(H,24,28)
InChIKeyWHVBXWKPUTWXBW-UHFFFAOYSA-N
XLogP4.27
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.15
LogP ≤ 54.27
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-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857561
2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53331074
N-[4-(dimethylamino)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926054
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 29281514
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926133
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide
CID 16884822
N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857565
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926077
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29281643

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide (CID 53331090) is 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide is O=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is WHVBXWKPUTWXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrCl2N5O2/c20-12-3-1-11(2-4-12)16-8-17-19(29)26(23-10-27(17)25-16)9-18(28)24-15-6-13(21)5-14(22)7-15/h1-8,10H,9H2,(H,24,28).
What are the key properties of 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide?
2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 493.15 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 53331090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).