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

C100H137FN16O6 — CID 158414939

About 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 158414939) has the molecular formula C100H137FN16O6 and a molecular weight of 1678.30 g/mol. Its IUPAC name is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
• PubChem CID: 158414939
• Molecular Formula: C100H137FN16O6
• Molecular Weight: 1678.30 g/mol
• Exact Mass: 1677.09
• IUPAC Name: 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
• SMILES: CCCCN(C)Cc1cn(C)nc1-c1ccc(OC(C)C)cc1.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(Oc2ccccc2F)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(CC(C)C)c1
• InChI: InChI=1S/C24H30N4O2.C21H24FN3O.C19H29N3O.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;1-3-4-13-25(2)15-17-14-23-24-21(17)16-9-11-18(12-10-16)26-20-8-6-5-7-19(20)22;1-6-7-12-21(4)13-17-14-22(5)20-19(17)16-8-10-18(11-9-16)23-15(2)3;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);5-12,14H,3-4,13,15H2,1-2H3,(H,23,24);8-11,14-15H,6-7,12-13H2,1-5H3;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: GZTRYRGNUBUZFJ-UHFFFAOYSA-N
• XLogP: 21.34
• TPSA: 226.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 42
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1678.30
LogP ≤ 5	21.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 158414939) is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCCN(C)Cc1cn(C)nc1-c1ccc(OC(C)C)cc1.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(Oc2ccccc2F)cc1.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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?

The InChIKey is GZTRYRGNUBUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.C21H24FN3O.C19H29N3O.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;1-3-4-13-25(2)15-17-14-23-24-21(17)16-9-11-18(12-10-16)26-20-8-6-5-7-19(20)22;1-6-7-12-21(4)13-17-14-22(5)20-19(17)16-8-10-18(11-9-16)23-15(2)3;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);5-12,14H,3-4,13,15H2,1-2H3,(H,23,24);8-11,14-15H,6-7,12-13H2,1-5H3;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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1678.30 g/mol, XLogP of 21.34, 42 rotatable bonds, 5 hydrogen bond donors, and 17 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;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 158414939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).