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

C18H19BrN6O3S — CID 19266109

IUPAC4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)c(C)c3Br)cc2)n1
InChIInChI=1S/C18H19BrN6O3S/c1-10-9-11(2)21-18(20-10)24-29(27,28)14-7-5-13(6-8-14)22-17(26)16-15(19)12(3)25(4)23-16/h5-9H,1-4H3,(H,22,26)(H,20,21,24)
InChIKeyIXLGXCZHZVQIHH-UHFFFAOYSA-N
MW479.36 g/mol
LogP2.95
Rot. Bonds5

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

4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266109) has the molecular formula C18H19BrN6O3S and a molecular weight of 479.36 g/mol. Its IUPAC name is 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266109
Molecular FormulaC18H19BrN6O3S
Molecular Weight479.36 g/mol
Exact Mass478.04
IUPAC Name4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)c(C)c3Br)cc2)n1
InChIInChI=1S/C18H19BrN6O3S/c1-10-9-11(2)21-18(20-10)24-29(27,28)14-7-5-13(6-8-14)22-17(26)16-15(19)12(3)25(4)23-16/h5-9H,1-4H3,(H,22,26)(H,20,21,24)
InChIKeyIXLGXCZHZVQIHH-UHFFFAOYSA-N
XLogP2.95
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262698
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462048
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477450
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19538080
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19683754
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19271640
methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 1187341
[2,4-dibromo-6-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl] acetate
CID 5245394
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19532404
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide (CID 19266109) is 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)c(C)c3Br)cc2)n1.
What is the InChIKey of 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is IXLGXCZHZVQIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6O3S/c1-10-9-11(2)21-18(20-10)24-29(27,28)14-7-5-13(6-8-14)22-17(26)16-15(19)12(3)25(4)23-16/h5-9H,1-4H3,(H,22,26)(H,20,21,24).
What are the key properties of 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 479.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).