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

C22H19ClN4OS — CID 27558188

IUPAC2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NCCc1ccccc1
InChIInChI=1S/C22H19ClN4OS/c23-18-8-6-17(7-9-18)19-14-20-22(25-12-13-27(20)26-19)29-15-21(28)24-11-10-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,24,28)
InChIKeyNXAFZPCRFMOOOC-UHFFFAOYSA-N
MW422.94 g/mol
LogP4.50
Rot. Bonds7

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

2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 27558188) has the molecular formula C22H19ClN4OS and a molecular weight of 422.94 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID27558188
Molecular FormulaC22H19ClN4OS
Molecular Weight422.94 g/mol
Exact Mass422.10
IUPAC Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NCCc1ccccc1
InChIInChI=1S/C22H19ClN4OS/c23-18-8-6-17(7-9-18)19-14-20-22(25-12-13-27(20)26-19)29-15-21(28)24-11-10-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,24,28)
InChIKeyNXAFZPCRFMOOOC-UHFFFAOYSA-N
XLogP4.50
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 27558188) is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NCCc1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is NXAFZPCRFMOOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4OS/c23-18-8-6-17(7-9-18)19-14-20-22(25-12-13-27(20)26-19)29-15-21(28)24-11-10-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,24,28).
What are the key properties of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 422.94 g/mol, XLogP of 4.50, 7 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-phenylethyl)acetamide is sourced from PubChem (CID 27558188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).