1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide

C25H26N6O4S — CID 19276119

About 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide

1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide (PubChem CID 19276119) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
• PubChem CID: 19276119
• Molecular Formula: C25H26N6O4S
• Molecular Weight: 506.59 g/mol
• Exact Mass: 506.17
• IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(C)cc(OCn2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)n2)c1
• InChI: InChI=1S/C25H26N6O4S/c1-16-11-17(2)13-21(12-16)35-15-31-10-9-23(29-31)24(32)28-20-5-7-22(8-6-20)36(33,34)30-25-26-18(3)14-19(4)27-25/h5-14H,15H2,1-4H3,(H,28,32)(H,26,27,30)
• InChIKey: WEAHBTVGZHUMOH-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 128.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.59
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide (CID 19276119) is 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide is Cc1cc(C)cc(OCn2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)n2)c1.

What is the InChIKey of 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide?

The InChIKey is WEAHBTVGZHUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-16-11-17(2)13-21(12-16)35-15-31-10-9-23(29-31)24(32)28-20-5-7-22(8-6-20)36(33,34)30-25-26-18(3)14-19(4)27-25/h5-14H,15H2,1-4H3,(H,28,32)(H,26,27,30).

What are the key properties of 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide?

1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 506.59 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19276119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).