N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide

C23H22N6O4S — CID 59370156

IUPACN-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nccc2-c2nn(-c3cccc(S(=O)(=O)N(C)C)c3)ccc2=O)c1
InChIInChI=1S/C23H22N6O4S/c1-16(30)25-17-6-4-8-19(14-17)29-21(10-12-24-29)23-22(31)11-13-28(26-23)18-7-5-9-20(15-18)34(32,33)27(2)3/h4-15H,1-3H3,(H,25,30)
InChIKeyOJMMVUHRWOVYLC-UHFFFAOYSA-N
MW478.53 g/mol
LogP2.29
Rot. Bonds6

About N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide

N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide (PubChem CID 59370156) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide
PubChem CID59370156
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC NameN-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nccc2-c2nn(-c3cccc(S(=O)(=O)N(C)C)c3)ccc2=O)c1
InChIInChI=1S/C23H22N6O4S/c1-16(30)25-17-6-4-8-19(14-17)29-21(10-12-24-29)23-22(31)11-13-28(26-23)18-7-5-9-20(15-18)34(32,33)27(2)3/h4-15H,1-3H3,(H,25,30)
InChIKeyOJMMVUHRWOVYLC-UHFFFAOYSA-N
XLogP2.29
TPSA119.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethylsulfonyl)phenyl]pyridazin-4-one
CID 67430426
N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide
CID 71111854
3-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-1-[3-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]phenyl]pyridazin-4-one
CID 59370036
3-[2-(3-methylsulfonylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 59369984
4-[5-[1-(3-methylsulfonylphenyl)-4-oxopyridazin-3-yl]pyrazol-1-yl]benzenesulfinate
CID 174625036
1-[4-(trifluoromethoxy)phenyl]-3-[2-[3-(trifluoromethylsulfonyl)phenyl]pyrazol-3-yl]pyridazin-4-one
CID 59369968
ethyl 2-[5-[1-(3-methylsulfonylphenyl)-4-oxopyridazin-3-yl]pyrazol-1-yl]pyridine-4-carboxylate
CID 59370107
4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide
CID 59369961
3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 141272838
3-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 59370163
3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one
CID 70226809
3-[2-(3-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 66710696

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide (CID 59370156) is N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nccc2-c2nn(-c3cccc(S(=O)(=O)N(C)C)c3)ccc2=O)c1.
What is the InChIKey of N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide?
The InChIKey is OJMMVUHRWOVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-16(30)25-17-6-4-8-19(14-17)29-21(10-12-24-29)23-22(31)11-13-28(26-23)18-7-5-9-20(15-18)34(32,33)27(2)3/h4-15H,1-3H3,(H,25,30).
What are the key properties of N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide?
N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide has a molecular weight of 478.53 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 59370156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).