2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide

C24H24N4OS — CID 71825008

IUPAC2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2cc3c(SCC(=O)NCCc4ccccc4)nccn3n2)cc1C
InChIInChI=1S/C24H24N4OS/c1-17-8-9-20(14-18(17)2)21-15-22-24(26-12-13-28(22)27-21)30-16-23(29)25-11-10-19-6-4-3-5-7-19/h3-9,12-15H,10-11,16H2,1-2H3,(H,25,29)
InChIKeyFFFMYOBGQAGSBN-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.46
Rot. Bonds7

About 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide

2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 71825008) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID71825008
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2cc3c(SCC(=O)NCCc4ccccc4)nccn3n2)cc1C
InChIInChI=1S/C24H24N4OS/c1-17-8-9-20(14-18(17)2)21-15-22-24(26-12-13-28(22)27-21)30-16-23(29)25-11-10-19-6-4-3-5-7-19/h3-9,12-15H,10-11,16H2,1-2H3,(H,25,29)
InChIKeyFFFMYOBGQAGSBN-UHFFFAOYSA-N
XLogP4.46
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 53334130
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 71824995
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 53334179
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 53334188
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 53334154
N-(4-bromophenyl)-2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334167
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 71824999
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53334207
2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine
CID 50772101
N-(2,6-dimethylphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509335
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95184698
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443662

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 71825008) is 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide is Cc1ccc(-c2cc3c(SCC(=O)NCCc4ccccc4)nccn3n2)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is FFFMYOBGQAGSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-17-8-9-20(14-18(17)2)21-15-22-24(26-12-13-28(22)27-21)30-16-23(29)25-11-10-19-6-4-3-5-7-19/h3-9,12-15H,10-11,16H2,1-2H3,(H,25,29).
What are the key properties of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 416.55 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 71825008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).