1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid

C23H26N4O6S — CID 83282067

IUPAC1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid
SMILESCCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1Oc1c(C)c(C(=O)O)nn1C
InChIInChI=1S/C23H26N4O6S/c1-5-12-24-34(31,32)19-13-16(25-21(28)17-9-7-6-8-14(17)2)10-11-18(19)33-22-15(3)20(23(29)30)26-27(22)4/h6-11,13,24H,5,12H2,1-4H3,(H,25,28)(H,29,30)
InChIKeyFLRZGGIEHGAUDK-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.47
Rot. Bonds9

About 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid

1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid (PubChem CID 83282067) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid
PubChem CID83282067
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid
SMILESCCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1Oc1c(C)c(C(=O)O)nn1C
InChIInChI=1S/C23H26N4O6S/c1-5-12-24-34(31,32)19-13-16(25-21(28)17-9-7-6-8-14(17)2)10-11-18(19)33-22-15(3)20(23(29)30)26-27(22)4/h6-11,13,24H,5,12H2,1-4H3,(H,25,28)(H,29,30)
InChIKeyFLRZGGIEHGAUDK-UHFFFAOYSA-N
XLogP3.47
TPSA139.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[(3-fluorobenzoyl)amino]-2-(propylsulfamoyl)phenoxy]-1,4-dimethylpyrazole-3-carboxylic acid
CID 83286019
5-[2-(butan-2-ylsulfamoyl)-4-[(2-fluorobenzoyl)amino]phenoxy]-1,4-dimethylpyrazole-3-carboxylic acid
CID 91633270
5-[2-(tert-butylsulfamoyl)-4-[(2-fluorobenzoyl)amino]phenoxy]-1,4-dimethylpyrazole-3-carboxylic acid
CID 91633356
5-[4-(cyclopentanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-4-methyl-1-phenylpyrazole-3-carboxylic acid
CID 83286218
4-methyl-5-[4-[(2-methylbenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-1-(4-methylphenyl)pyrazole-3-carboxylic acid
CID 83272831
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-methoxybenzoyl)amino]phenoxy]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 98441862
5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 83286215
5-[4-[(2-chlorobenzoyl)amino]-2-(4-methylpiperazin-1-yl)sulfonylphenoxy]-1-ethyl-4-methylpyrazole-3-carboxylic acid
CID 83274009
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-[(2-methoxybenzoyl)amino]phenoxy]-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylic acid
CID 98440802
1-tert-butyl-5-[2-(2-methoxyethylsulfamoyl)-4-(thiophene-2-carbonylamino)phenoxy]-4-methylpyrazole-3-carboxylic acid
CID 91633258
5-[4-(cyclopentanecarbonylamino)-2-(propan-2-ylsulfamoyl)phenoxy]-1,4-dimethylpyrazole-3-carboxylic acid
CID 90488405
5-[4-(cyclopentanecarbonylamino)-2-(2-methoxyethylsulfamoyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methylpyrazole-3-carboxylic acid
CID 83274519

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid?
The IUPAC name of 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid (CID 83282067) is 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid is CCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1Oc1c(C)c(C(=O)O)nn1C.
What is the InChIKey of 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid?
The InChIKey is FLRZGGIEHGAUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-5-12-24-34(31,32)19-13-16(25-21(28)17-9-7-6-8-14(17)2)10-11-18(19)33-22-15(3)20(23(29)30)26-27(22)4/h6-11,13,24H,5,12H2,1-4H3,(H,25,28)(H,29,30).
What are the key properties of 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid?
1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid has a molecular weight of 486.55 g/mol, XLogP of 3.47, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-[4-[(2-methylbenzoyl)amino]-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid is sourced from PubChem (CID 83282067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).