3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide

C19H21BrN6O5S — CID 19570156

IUPAC3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)CCn3ncc(Br)c3C)cc2)nc(OC)n1
InChIInChI=1S/C19H21BrN6O5S/c1-12-15(20)11-21-26(12)9-8-17(27)22-13-4-6-14(7-5-13)32(28,29)25-16-10-18(30-2)24-19(23-16)31-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,27)(H,23,24,25)
InChIKeyVEWFHVGPDHIBMP-UHFFFAOYSA-N
MW525.39 g/mol
LogP2.59
Rot. Bonds9

About 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide

3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide (PubChem CID 19570156) has the molecular formula C19H21BrN6O5S and a molecular weight of 525.39 g/mol. Its IUPAC name is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
PubChem CID19570156
Molecular FormulaC19H21BrN6O5S
Molecular Weight525.39 g/mol
Exact Mass524.05
IUPAC Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)CCn3ncc(Br)c3C)cc2)nc(OC)n1
InChIInChI=1S/C19H21BrN6O5S/c1-12-15(20)11-21-26(12)9-8-17(27)22-13-4-6-14(7-5-13)32(28,29)25-16-10-18(30-2)24-19(23-16)31-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,27)(H,23,24,25)
InChIKeyVEWFHVGPDHIBMP-UHFFFAOYSA-N
XLogP2.59
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280722
3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
CID 19542060
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526453
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 25044682
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 19529606
2-(4-bromo-3-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 4026517
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519117
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765
N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570101
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094227

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide (CID 19570156) is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)CCn3ncc(Br)c3C)cc2)nc(OC)n1.
What is the InChIKey of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is VEWFHVGPDHIBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6O5S/c1-12-15(20)11-21-26(12)9-8-17(27)22-13-4-6-14(7-5-13)32(28,29)25-16-10-18(30-2)24-19(23-16)31-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,27)(H,23,24,25).
What are the key properties of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide?
3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 525.39 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 19570156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).