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

C20H13ClF2N4OS — CID 27549512

IUPAC2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccc(F)cc1F
InChIInChI=1S/C20H13ClF2N4OS/c21-13-3-1-12(2-4-13)17-10-18-20(24-7-8-27(18)26-17)29-11-19(28)25-16-6-5-14(22)9-15(16)23/h1-10H,11H2,(H,25,28)
InChIKeyCVJDHEJJMUEDIH-UHFFFAOYSA-N
MW430.87 g/mol
LogP5.06
Rot. Bonds5

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

2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide (PubChem CID 27549512) has the molecular formula C20H13ClF2N4OS and a molecular weight of 430.87 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
PubChem CID27549512
Molecular FormulaC20H13ClF2N4OS
Molecular Weight430.87 g/mol
Exact Mass430.05
IUPAC Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccc(F)cc1F
InChIInChI=1S/C20H13ClF2N4OS/c21-13-3-1-12(2-4-13)17-10-18-20(24-7-8-27(18)26-17)29-11-19(28)25-16-6-5-14(22)9-15(16)23/h1-10H,11H2,(H,25,28)
InChIKeyCVJDHEJJMUEDIH-UHFFFAOYSA-N
XLogP5.06
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 55.06
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-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 57328869
2-{[2-(4-Chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-D]pyridazin-7-YL]sulfanyl}-N-[(2-fluorophenyl)methyl]acetamide
CID 16034516
2-(4-Fluorophenyl)-4-[(4-vinylbenzyl)thio]pyrazolo[1,5-a]pyrazine
CID 30849881
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
CID 46943537
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide (CID 27549512) is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide is O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide?
The InChIKey is CVJDHEJJMUEDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4OS/c21-13-3-1-12(2-4-13)17-10-18-20(24-7-8-27(18)26-17)29-11-19(28)25-16-6-5-14(22)9-15(16)23/h1-10H,11H2,(H,25,28).
What are the key properties of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide?
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide has a molecular weight of 430.87 g/mol, XLogP of 5.06, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 27549512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).