1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide

C19H26N4O8S — CID 108789251

About 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide

1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide (PubChem CID 108789251) has the molecular formula C19H26N4O8S and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide
• PubChem CID: 108789251
• Molecular Formula: C19H26N4O8S
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.15
• IUPAC Name: 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)NC3C(O)O[C@H](CO)C(O)[C@@H]3O)cnn2C)cc1
• InChI: InChI=1S/C19H26N4O8S/c1-10-4-6-11(7-5-10)32(29,30)23(3)18-12(8-20-22(18)2)17(27)21-14-16(26)15(25)13(9-24)31-19(14)28/h4-8,13-16,19,24-26,28H,9H2,1-3H3,(H,21,27)/t13-,14?,15?,16-,19?/m1/s1
• InChIKey: AQMUHMMKQADBAN-ITFIPKOWSA-N
• XLogP: -1.92
• TPSA: 174.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	-1.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide?

The IUPAC name of 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide (CID 108789251) is 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide?

The canonical SMILES for 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)NC3C(O)O[C@H](CO)C(O)[C@@H]3O)cnn2C)cc1.

What is the InChIKey of 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide?

The InChIKey is AQMUHMMKQADBAN-ITFIPKOWSA-N. The full InChI is InChI=1S/C19H26N4O8S/c1-10-4-6-11(7-5-10)32(29,30)23(3)18-12(8-20-22(18)2)17(27)21-14-16(26)15(25)13(9-24)31-19(14)28/h4-8,13-16,19,24-26,28H,9H2,1-3H3,(H,21,27)/t13-,14?,15?,16-,19?/m1/s1.

What are the key properties of 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide?

1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide has a molecular weight of 470.50 g/mol, XLogP of -1.92, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 108789251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).