N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

C17H12N8OS — CID 47773911

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc2ncccn2n1
InChIInChI=1S/C17H12N8OS/c18-9-12-10-20-25(13-5-2-1-3-6-13)15(12)21-14(26)11-27-17-22-16-19-7-4-8-24(16)23-17/h1-8,10H,11H2,(H,21,26)
InChIKeyZVJQWUJAGCKPGE-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.91
Rot. Bonds5

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (PubChem CID 47773911) has the molecular formula C17H12N8OS and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
PubChem CID47773911
Molecular FormulaC17H12N8OS
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc2ncccn2n1
InChIInChI=1S/C17H12N8OS/c18-9-12-10-20-25(13-5-2-1-3-6-13)15(12)21-14(26)11-27-17-22-16-19-7-4-8-24(16)23-17/h1-8,10H,11H2,(H,21,26)
InChIKeyZVJQWUJAGCKPGE-UHFFFAOYSA-N
XLogP1.91
TPSA113.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351550
N-[2-(cyanomethylsulfanyl)phenyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351979
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 47773497
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135527995
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351214
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2816572
N-(3-phenylpropyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196826
N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 17424076
N-[2-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196904
N-(4-morpholin-4-ylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 18130886
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47773596
N-(5-fluoro-2-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 18130890

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (CID 47773911) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc2ncccn2n1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The InChIKey is ZVJQWUJAGCKPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8OS/c18-9-12-10-20-25(13-5-2-1-3-6-13)15(12)21-14(26)11-27-17-22-16-19-7-4-8-24(16)23-17/h1-8,10H,11H2,(H,21,26).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide has a molecular weight of 376.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 47773911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).