2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C21H14ClF3N4OS — CID 27555777

IUPAC2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H14ClF3N4OS/c22-14-7-5-13(6-8-14)17-11-18-20(26-9-10-29(18)28-17)31-12-19(30)27-16-4-2-1-3-15(16)21(23,24)25/h1-11H,12H2,(H,27,30)
InChIKeyCUGXTBDOOZEOFN-UHFFFAOYSA-N
MW462.88 g/mol
LogP5.80
Rot. Bonds5

About 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 27555777) has the molecular formula C21H14ClF3N4OS and a molecular weight of 462.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID27555777
Molecular FormulaC21H14ClF3N4OS
Molecular Weight462.88 g/mol
Exact Mass462.05
IUPAC Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H14ClF3N4OS/c22-14-7-5-13(6-8-14)17-11-18-20(26-9-10-29(18)28-17)31-12-19(30)27-16-4-2-1-3-15(16)21(23,24)25/h1-11H,12H2,(H,27,30)
InChIKeyCUGXTBDOOZEOFN-UHFFFAOYSA-N
XLogP5.80
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.88
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]thio}acetamide
CID 27509345
2-{[2-(naphthalen-1-yl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27371445
N-(3-fluorophenyl)-2-{[2-(naphthalen-1-yl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371675
N-(4-fluorobenzyl)-2-{[2-(1-naphthyl)pyrazolo[1,5-a]pyrazin-4-yl]thio}acetamide
CID 27371679
N-(2-chlorophenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371697
N-(4-chlorophenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371699
N-(3,4-dimethylphenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371810
N-(3-chloro-4-methylphenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371811
N-(3-fluoro-4-methylphenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371812
N-(5-fluoro-2-methylphenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371816
N-(2,6-dimethylphenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371822
N-(2,5-difluorophenyl)-2-{[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamide
CID 27371824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 27555777) is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CUGXTBDOOZEOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4OS/c22-14-7-5-13(6-8-14)17-11-18-20(26-9-10-29(18)28-17)31-12-19(30)27-16-4-2-1-3-15(16)21(23,24)25/h1-11H,12H2,(H,27,30).
What are the key properties of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 462.88 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 27555777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).