2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide

C21H17ClN4O3S — CID 172630017

IUPAC2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide
SMILESCS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc(-c2cnn3ccncc23)c1
InChIInChI=1S/C21H17ClN4O3S/c1-30(28,29)17-9-15(18-12-24-26-7-6-23-13-20(18)26)8-16(11-17)25-21(27)10-14-4-2-3-5-19(14)22/h2-9,11-13H,10H2,1H3,(H,25,27)
InChIKeyVVCBZTXBGJXGAR-UHFFFAOYSA-N
MW440.91 g/mol
LogP3.63
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide

2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide (PubChem CID 172630017) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide
PubChem CID172630017
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC Name2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide
SMILESCS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc(-c2cnn3ccncc23)c1
InChIInChI=1S/C21H17ClN4O3S/c1-30(28,29)17-9-15(18-12-24-26-7-6-23-13-20(18)26)8-16(11-17)25-21(27)10-14-4-2-3-5-19(14)22/h2-9,11-13H,10H2,1H3,(H,25,27)
InChIKeyVVCBZTXBGJXGAR-UHFFFAOYSA-N
XLogP3.63
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[3-(5-chloro-3-pyridinyl)-5-sulfamoylphenyl]acetamide
CID 134588591
2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide
CID 134588333
ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797808
2-(2-chlorophenyl)-N-(3-pyridin-3-yl-5-sulfinamoylphenyl)acetamide
CID 134594581
N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 123708136
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523
2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide
CID 172629982
N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925213
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746618
2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide
CID 156572250
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 17444380

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide (CID 172630017) is 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide is CS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc(-c2cnn3ccncc23)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide?
The InChIKey is VVCBZTXBGJXGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-30(28,29)17-9-15(18-12-24-26-7-6-23-13-20(18)26)8-16(11-17)25-21(27)10-14-4-2-3-5-19(14)22/h2-9,11-13H,10H2,1H3,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide?
2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide has a molecular weight of 440.91 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide is sourced from PubChem (CID 172630017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).