2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C19H13F3N4OS2 — CID 53334231

IUPAC2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4OS2/c20-19(21,22)12-3-1-4-13(9-12)24-17(27)11-29-18-15-10-14(16-5-2-8-28-16)25-26(15)7-6-23-18/h1-10H,11H2,(H,24,27)
InChIKeyGZJUPGRGTKGDKR-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.21
Rot. Bonds5

About 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 53334231) has the molecular formula C19H13F3N4OS2 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID53334231
Molecular FormulaC19H13F3N4OS2
Molecular Weight434.47 g/mol
Exact Mass434.05
IUPAC Name2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4OS2/c20-19(21,22)12-3-1-4-13(9-12)24-17(27)11-29-18-15-10-14(16-5-2-8-28-16)25-26(15)7-6-23-18/h1-10H,11H2,(H,24,27)
InChIKeyGZJUPGRGTKGDKR-UHFFFAOYSA-N
XLogP5.21
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 53334274
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27564776
N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27444905
ethyl 3-[[2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 27651728
2-[(12-ethyl-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22552358
N-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 40833739
2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30486855
2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 27372818
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443667
ethyl 3-[[2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 27651732
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 53334376
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22585430

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 53334231) is 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GZJUPGRGTKGDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS2/c20-19(21,22)12-3-1-4-13(9-12)24-17(27)11-29-18-15-10-14(16-5-2-8-28-16)25-26(15)7-6-23-18/h1-10H,11H2,(H,24,27).
What are the key properties of 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 434.47 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53334231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).