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

C22H19ClN4OS — CID 27371672

IUPAC2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C22H19ClN4OS/c1-15-2-4-16(5-3-15)13-25-21(28)14-29-22-20-12-19(26-27(20)11-10-24-22)17-6-8-18(23)9-7-17/h2-12H,13-14H2,1H3,(H,25,28)
InChIKeyJBPRSEHJSKVHMU-UHFFFAOYSA-N
MW422.94 g/mol
LogP4.77
Rot. Bonds6

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

2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 27371672) 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-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID27371672
Molecular FormulaC22H19ClN4OS
Molecular Weight422.94 g/mol
Exact Mass422.10
IUPAC Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C22H19ClN4OS/c1-15-2-4-16(5-3-15)13-25-21(28)14-29-22-20-12-19(26-27(20)11-10-24-22)17-6-8-18(23)9-7-17/h2-12H,13-14H2,1H3,(H,25,28)
InChIKeyJBPRSEHJSKVHMU-UHFFFAOYSA-N
XLogP4.77
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 54.77
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-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide (CID 27371672) is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is JBPRSEHJSKVHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4OS/c1-15-2-4-16(5-3-15)13-25-21(28)14-29-22-20-12-19(26-27(20)11-10-24-22)17-6-8-18(23)9-7-17/h2-12H,13-14H2,1H3,(H,25,28).
What are the key properties of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 422.94 g/mol, XLogP of 4.77, 6 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 27371672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).