5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine

C105H136N18O7 — CID 158906746

About 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine

5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 158906746) has the molecular formula C105H136N18O7 and a molecular weight of 1762.36 g/mol. Its IUPAC name is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
• PubChem CID: 158906746
• Molecular Formula: C105H136N18O7
• Molecular Weight: 1762.36 g/mol
• Exact Mass: 1761.08
• IUPAC Name: 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
• SMILES: CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2)c(C#N)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCCO)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1.CCCN(C)Cc1cn[nH]c1-c1cccc(CC(C)C)c1
• InChI: InChI=1S/C24H30N4O2.C23H28N4O2.C22H24N4O.C18H27N3O2.C18H27N3/c1-5-6-14-28(4)17-19-16-25-26-23(19)18-12-13-22(21(15-18)24(29)27(2)3)30-20-10-8-7-9-11-20;1-4-5-13-27(3)16-18-15-25-26-22(18)17-11-12-21(20(14-17)23(28)24-2)29-19-9-7-6-8-10-19;1-3-4-12-26(2)16-21-20(15-24-25-21)17-10-11-22(18(13-17)14-23)27-19-8-6-5-7-9-19;1-3-4-10-21(2)14-16-13-19-20-18(16)15-6-8-17(9-7-15)23-12-5-11-22;1-5-9-21(4)13-17-12-19-20-18(17)16-8-6-7-15(11-16)10-14(2)3/h7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);5-11,13,15H,3-4,12,16H2,1-2H3,(H,24,25);6-9,13,22H,3-5,10-12,14H2,1-2H3,(H,19,20);6-8,11-12,14H,5,9-10,13H2,1-4H3,(H,19,20)
• InChIKey: JGDHKJQIJDLQCN-UHFFFAOYSA-N
• XLogP: 21.42
• TPSA: 289.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 43
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1762.36
LogP ≤ 5	21.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?

The IUPAC name of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 158906746) is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine.

What is the SMILES notation for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?

The canonical SMILES for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2)c(C#N)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCCO)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1.CCCN(C)Cc1cn[nH]c1-c1cccc(CC(C)C)c1.

What is the InChIKey of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?

The InChIKey is JGDHKJQIJDLQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.C23H28N4O2.C22H24N4O.C18H27N3O2.C18H27N3/c1-5-6-14-28(4)17-19-16-25-26-23(19)18-12-13-22(21(15-18)24(29)27(2)3)30-20-10-8-7-9-11-20;1-4-5-13-27(3)16-18-15-25-26-22(18)17-11-12-21(20(14-17)23(28)24-2)29-19-9-7-6-8-10-19;1-3-4-12-26(2)16-21-20(15-24-25-21)17-10-11-22(18(13-17)14-23)27-19-8-6-5-7-9-19;1-3-4-10-21(2)14-16-13-19-20-18(16)15-6-8-17(9-7-15)23-12-5-11-22;1-5-9-21(4)13-17-12-19-20-18(17)16-8-6-7-15(11-16)10-14(2)3/h7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);5-11,13,15H,3-4,12,16H2,1-2H3,(H,24,25);6-9,13,22H,3-5,10-12,14H2,1-2H3,(H,19,20);6-8,11-12,14H,5,9-10,13H2,1-4H3,(H,19,20).

What are the key properties of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?

5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1762.36 g/mol, XLogP of 21.42, 43 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 158906746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).