5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide

C34H52N8O6S2 — CID 162013950

About 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide

5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide (PubChem CID 162013950) has the molecular formula C34H52N8O6S2 and a molecular weight of 732.97 g/mol. Its IUPAC name is 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide.

Molecular Properties

• Compound Name: 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide
• PubChem CID: 162013950
• Molecular Formula: C34H52N8O6S2
• Molecular Weight: 732.97 g/mol
• Exact Mass: 732.35
• IUPAC Name: 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide
• SMILES: CN(C)C(C)(C)c1cc(S(N)(=O)=O)nn1C.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(C(C)(C)N(C)C)n(C)n2)cc1
• InChI: InChI=1S/C25H34N4O4S.C9H18N4O2S/c1-25(2,27(3)4)23-16-24(26-28(23)5)34(30,31)29(17-19-8-12-21(32-6)13-9-19)18-20-10-14-22(33-7)15-11-20;1-9(2,12(3)4)7-6-8(11-13(7)5)16(10,14)15/h8-16H,17-18H2,1-7H3;6H,1-5H3,(H2,10,14,15)
• InChIKey: YTVTYHQREBIWHW-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 158.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.97
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide?

The IUPAC name of 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide (CID 162013950) is 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide.

What is the SMILES notation for 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide?

The canonical SMILES for 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide is CN(C)C(C)(C)c1cc(S(N)(=O)=O)nn1C.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(C(C)(C)N(C)C)n(C)n2)cc1.

What is the InChIKey of 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide?

The InChIKey is YTVTYHQREBIWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S.C9H18N4O2S/c1-25(2,27(3)4)23-16-24(26-28(23)5)34(30,31)29(17-19-8-12-21(32-6)13-9-19)18-20-10-14-22(33-7)15-11-20;1-9(2,12(3)4)7-6-8(11-13(7)5)16(10,14)15/h8-16H,17-18H2,1-7H3;6H,1-5H3,(H2,10,14,15).

What are the key properties of 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide?

5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide has a molecular weight of 732.97 g/mol, XLogP of 3.49, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 162013950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).