N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C19H17N5O2S — CID 46857517

IUPACN-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1
InChIInChI=1S/C19H17N5O2S/c1-2-13-5-7-14(8-6-13)21-18(25)11-23-19(26)16-10-15(17-4-3-9-27-17)22-24(16)12-20-23/h3-10,12H,2,11H2,1H3,(H,21,25)
InChIKeyVHOUNDYZROGIKG-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.82
Rot. Bonds5

About N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 46857517) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID46857517
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1
InChIInChI=1S/C19H17N5O2S/c1-2-13-5-7-14(8-6-13)21-18(25)11-23-19(26)16-10-15(17-4-3-9-27-17)22-24(16)12-20-23/h3-10,12H,2,11H2,1H3,(H,21,25)
InChIKeyVHOUNDYZROGIKG-UHFFFAOYSA-N
XLogP2.82
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 29281514
N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513250
N-(3,5-dichlorophenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926136
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 46857537
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50926052
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513225
N-(3-morpholin-4-ylpropyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513214
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 20953511
N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926133
2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-phenylacetamide
CID 53331147

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 46857517) is N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is CCc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is VHOUNDYZROGIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-2-13-5-7-14(8-6-13)21-18(25)11-23-19(26)16-10-15(17-4-3-9-27-17)22-24(16)12-20-23/h3-10,12H,2,11H2,1H3,(H,21,25).
What are the key properties of N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 379.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 46857517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).