N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C20H16ClN5O2 — CID 20953601

IUPACN-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2cc(-c3ccccc3)nn12
InChIInChI=1S/C20H16ClN5O2/c1-13-23-25(12-19(27)22-16-9-5-8-15(21)10-16)20(28)18-11-17(24-26(13)18)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,22,27)
InChIKeySGBQYMULKJLXFS-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.16
Rot. Bonds4

About N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 20953601) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID20953601
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2cc(-c3ccccc3)nn12
InChIInChI=1S/C20H16ClN5O2/c1-13-23-25(12-19(27)22-16-9-5-8-15(21)10-16)20(28)18-11-17(24-26(13)18)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,22,27)
InChIKeySGBQYMULKJLXFS-UHFFFAOYSA-N
XLogP3.16
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 20953601) is N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2cc(-c3ccccc3)nn12.
What is the InChIKey of N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is SGBQYMULKJLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-13-23-25(12-19(27)22-16-9-5-8-15(21)10-16)20(28)18-11-17(24-26(13)18)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,22,27).
What are the key properties of N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 393.83 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 20953601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).