2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide

C19H24N4O4S — CID 51128391

About 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide

2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 51128391) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
• PubChem CID: 51128391
• Molecular Formula: C19H24N4O4S
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.15
• IUPAC Name: 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
• SMILES: CC1Cc2cc(C(=O)Nc3ccnn3CC3CCOC3)ccc2N1S(C)(=O)=O
• InChI: InChI=1S/C19H24N4O4S/c1-13-9-16-10-15(3-4-17(16)23(13)28(2,25)26)19(24)21-18-5-7-20-22(18)11-14-6-8-27-12-14/h3-5,7,10,13-14H,6,8-9,11-12H2,1-2H3,(H,21,24)
• InChIKey: VSUXAMLSACTRNY-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide?

The IUPAC name of 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide (CID 51128391) is 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3ccnn3CC3CCOC3)ccc2N1S(C)(=O)=O.

What is the InChIKey of 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide?

The InChIKey is VSUXAMLSACTRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13-9-16-10-15(3-4-17(16)23(13)28(2,25)26)19(24)21-18-5-7-20-22(18)11-14-6-8-27-12-14/h3-5,7,10,13-14H,6,8-9,11-12H2,1-2H3,(H,21,24).

What are the key properties of 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide?

2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51128391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).