2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide

C21H17ClN4O2S — CID 16957033

IUPAC2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c1
InChIInChI=1S/C21H17ClN4O2S/c1-29-17-4-2-3-16(11-17)23-20(27)13-25-9-10-26-19(21(25)28)12-18(24-26)14-5-7-15(22)8-6-14/h2-12H,13H2,1H3,(H,23,27)
InChIKeyVYBMLRNOGVBREP-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.18
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 16957033) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID16957033
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c1
InChIInChI=1S/C21H17ClN4O2S/c1-29-17-4-2-3-16(11-17)23-20(27)13-25-9-10-26-19(21(25)28)12-18(24-26)14-5-7-15(22)8-6-14/h2-12H,13H2,1H3,(H,23,27)
InChIKeyVYBMLRNOGVBREP-UHFFFAOYSA-N
XLogP4.18
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 18592320
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16875832
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
N-(3-fluorophenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956825
ethyl 4-[[2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 50795732
N-(3-chloro-4-methylphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875770
N-(2-fluorophenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875760
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16957045
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 18592253
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956857
N-(2,5-difluorophenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956850
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956891

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 16957033) is 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is VYBMLRNOGVBREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-29-17-4-2-3-16(11-17)23-20(27)13-25-9-10-26-19(21(25)28)12-18(24-26)14-5-7-15(22)8-6-14/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 424.91 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 16957033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).