2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide

C14H16N4O4S — CID 119101455

IUPAC2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCn3nccc3C2)cc1
InChIInChI=1S/C14H16N4O4S/c15-14(19)10-22-12-1-3-13(4-2-12)23(20,21)17-7-8-18-11(9-17)5-6-16-18/h1-6H,7-10H2,(H2,15,19)
InChIKeyAZLWAUILLRRTSA-UHFFFAOYSA-N
MW336.37 g/mol
LogP-0.05
Rot. Bonds5

About 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide

2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide (PubChem CID 119101455) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide
PubChem CID119101455
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCn3nccc3C2)cc1
InChIInChI=1S/C14H16N4O4S/c15-14(19)10-22-12-1-3-13(4-2-12)23(20,21)17-7-8-18-11(9-17)5-6-16-18/h1-6H,7-10H2,(H2,15,19)
InChIKeyAZLWAUILLRRTSA-UHFFFAOYSA-N
XLogP-0.05
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814431
4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)benzonitrile
CID 121170823
2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide
CID 121165244
2-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenoxy]acetamide
CID 24552281
2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100648532
2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 121161744
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide
CID 131703860
methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
CID 1082948
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719
2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
CID 100814421
2-[4-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]phenoxy]acetamide
CID 171363350

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide?
The IUPAC name of 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide (CID 119101455) is 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide is NC(=O)COc1ccc(S(=O)(=O)N2CCn3nccc3C2)cc1.
What is the InChIKey of 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide?
The InChIKey is AZLWAUILLRRTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c15-14(19)10-22-12-1-3-13(4-2-12)23(20,21)17-7-8-18-11(9-17)5-6-16-18/h1-6H,7-10H2,(H2,15,19).
What are the key properties of 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide?
2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide has a molecular weight of 336.37 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)phenoxy]acetamide is sourced from PubChem (CID 119101455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).