N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide

C20H14ClFN4OS — CID 27371699

IUPACN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN4OS/c21-14-3-7-16(8-4-14)24-19(27)12-28-20-18-11-17(25-26(18)10-9-23-20)13-1-5-15(22)6-2-13/h1-11H,12H2,(H,24,27)
InChIKeyZUXOTRRAJDAKPQ-UHFFFAOYSA-N
MW412.88 g/mol
LogP4.92
Rot. Bonds5

About N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide (PubChem CID 27371699) has the molecular formula C20H14ClFN4OS and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
PubChem CID27371699
Molecular FormulaC20H14ClFN4OS
Molecular Weight412.88 g/mol
Exact Mass412.06
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN4OS/c21-14-3-7-16(8-4-14)24-19(27)12-28-20-18-11-17(25-26(18)10-9-23-20)13-1-5-15(22)6-2-13/h1-11H,12H2,(H,24,27)
InChIKeyZUXOTRRAJDAKPQ-UHFFFAOYSA-N
XLogP4.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.92
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-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670034
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 57328869
N-[(2-Chlorophenyl)methyl]-2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-D]pyridazin-7-YL}sulfanyl)acetamide
CID 16023164
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-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-phenyl-acetamide
CID 57328870
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide (CID 27371699) is N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide is O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The InChIKey is ZUXOTRRAJDAKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4OS/c21-14-3-7-16(8-4-14)24-19(27)12-28-20-18-11-17(25-26(18)10-9-23-20)13-1-5-15(22)6-2-13/h1-11H,12H2,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide has a molecular weight of 412.88 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide is sourced from PubChem (CID 27371699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).