3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide

C24H23N7O5S — CID 121079900

About 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide (PubChem CID 121079900) has the molecular formula C24H23N7O5S and a molecular weight of 521.56 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide
• PubChem CID: 121079900
• Molecular Formula: C24H23N7O5S
• Molecular Weight: 521.56 g/mol
• Exact Mass: 521.15
• IUPAC Name: 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide
• SMILES: COc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
• InChI: InChI=1S/C24H23N7O5S/c1-15-12-13-25-24(26-15)30-37(34,35)19-10-8-18(9-11-19)27-21(32)16-4-6-17(7-5-16)28-22(33)20-14-31(2)29-23(20)36-3/h4-14H,1-3H3,(H,27,32)(H,28,33)(H,25,26,30)
• InChIKey: XWPAGKKOZZTVOH-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 157.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.56
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide (CID 121079900) is 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1.

What is the InChIKey of 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide?

The InChIKey is XWPAGKKOZZTVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O5S/c1-15-12-13-25-24(26-15)30-37(34,35)19-10-8-18(9-11-19)27-21(32)16-4-6-17(7-5-16)28-22(33)20-14-31(2)29-23(20)36-3/h4-14H,1-3H3,(H,27,32)(H,28,33)(H,25,26,30).

What are the key properties of 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide?

3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 521.56 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121079900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).