5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide

C20H21F2N5O4S — CID 166752375

About 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide

5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide (PubChem CID 166752375) has the molecular formula C20H21F2N5O4S and a molecular weight of 465.48 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide
• PubChem CID: 166752375
• Molecular Formula: C20H21F2N5O4S
• Molecular Weight: 465.48 g/mol
• Exact Mass: 465.13
• IUPAC Name: 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide
• SMILES: COc1ncc(NC(=O)c2cnn(C)c2C(F)F)cc1S(=O)(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C20H21F2N5O4S/c1-11-6-5-7-12(2)16(11)26-32(29,30)15-8-13(9-23-20(15)31-4)25-19(28)14-10-24-27(3)17(14)18(21)22/h5-10,18,26H,1-4H3,(H,25,28)
• InChIKey: HEARURBWMJBUQL-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 115.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.48
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide?

The IUPAC name of 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide (CID 166752375) is 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide?

The canonical SMILES for 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide is COc1ncc(NC(=O)c2cnn(C)c2C(F)F)cc1S(=O)(=O)Nc1c(C)cccc1C.

What is the InChIKey of 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide?

The InChIKey is HEARURBWMJBUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O4S/c1-11-6-5-7-12(2)16(11)26-32(29,30)15-8-13(9-23-20(15)31-4)25-19(28)14-10-24-27(3)17(14)18(21)22/h5-10,18,26H,1-4H3,(H,25,28).

What are the key properties of 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide?

5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166752375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).