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

C20H23BrN6O3S — CID 19538080

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(C)c(Br)c3C)cc2)n1
InChIInChI=1S/C20H23BrN6O3S/c1-11-10-12(2)23-20(22-11)26-31(29,30)17-8-6-16(7-9-17)24-19(28)15(5)27-14(4)18(21)13(3)25-27/h6-10,15H,1-5H3,(H,24,28)(H,22,23,26)
InChIKeyBYAQXDBYMPMUEI-UHFFFAOYSA-N
MW507.41 g/mol
LogP3.67
Rot. Bonds6

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 19538080) has the molecular formula C20H23BrN6O3S and a molecular weight of 507.41 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID19538080
Molecular FormulaC20H23BrN6O3S
Molecular Weight507.41 g/mol
Exact Mass506.07
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(C)c(Br)c3C)cc2)n1
InChIInChI=1S/C20H23BrN6O3S/c1-11-10-12(2)23-20(22-11)26-31(29,30)17-8-6-16(7-9-17)24-19(28)15(5)27-14(4)18(21)13(3)25-27/h6-10,15H,1-5H3,(H,24,28)(H,22,23,26)
InChIKeyBYAQXDBYMPMUEI-UHFFFAOYSA-N
XLogP3.67
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19532404
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19533592
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19537824
N-(4-aminophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130906
4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266109
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 25045380
2-(5-methylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19537212
N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128703
2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25034798
4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262698
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]propanamide
CID 19532472
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 19538080) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(C)c(Br)c3C)cc2)n1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is BYAQXDBYMPMUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN6O3S/c1-11-10-12(2)23-20(22-11)26-31(29,30)17-8-6-16(7-9-17)24-19(28)15(5)27-14(4)18(21)13(3)25-27/h6-10,15H,1-5H3,(H,24,28)(H,22,23,26).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 507.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 19538080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).