N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C24H18ClN5O2 — CID 53331188

IUPACN-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O
InChIInChI=1S/C24H18ClN5O2/c1-15-6-4-11-19(25)23(15)27-22(31)13-29-24(32)21-12-20(28-30(21)14-26-29)18-10-5-8-16-7-2-3-9-17(16)18/h2-12,14H,13H2,1H3,(H,27,31)
InChIKeyKNYMBOAIIBNSFC-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.31
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 53331188) has the molecular formula C24H18ClN5O2 and a molecular weight of 443.89 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID53331188
Molecular FormulaC24H18ClN5O2
Molecular Weight443.89 g/mol
Exact Mass443.11
IUPAC NameN-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O
InChIInChI=1S/C24H18ClN5O2/c1-15-6-4-11-19(25)23(15)27-22(31)13-29-24(32)21-12-20(28-30(21)14-26-29)18-10-5-8-16-7-2-3-9-17(16)18/h2-12,14H,13H2,1H3,(H,27,31)
InChIKeyKNYMBOAIIBNSFC-UHFFFAOYSA-N
XLogP4.31
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-phenylacetamide
CID 53331147
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 53331153
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 53331112
N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857665
2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 46857622
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 46857537
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-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
N-[(4-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513131
N-(2,3-dichlorophenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672039
2-(2-chlorophenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53131113

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 53331188) is N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is Cc1cccc(Cl)c1NC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is KNYMBOAIIBNSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c1-15-6-4-11-19(25)23(15)27-22(31)13-29-24(32)21-12-20(28-30(21)14-26-29)18-10-5-8-16-7-2-3-9-17(16)18/h2-12,14H,13H2,1H3,(H,27,31).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 443.89 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 53331188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).