5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine

C85H108FN13O7 — CID 158403073

About 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine

5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine (PubChem CID 158403073) has the molecular formula C85H108FN13O7 and a molecular weight of 1442.88 g/mol. Its IUPAC name is 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

• Compound Name: 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine
• PubChem CID: 158403073
• Molecular Formula: C85H108FN13O7
• Molecular Weight: 1442.88 g/mol
• Exact Mass: 1441.85
• IUPAC Name: 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine
• SMILES: CCCCN(C)Cc1[nH]ncc1-c1ccc(OCCCOC)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2cccc(OC)c2)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2F)cc1
• InChI: InChI=1S/C23H28N4O2.C22H27N3O2.C21H24FN3O.C19H29N3O2/c1-4-5-13-27(3)16-21-20(15-25-26-21)17-11-12-22(19(14-17)23(28)24-2)29-18-9-7-6-8-10-18;1-4-5-13-25(2)16-22-21(15-23-24-22)17-9-11-18(12-10-17)27-20-8-6-7-19(14-20)26-3;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;1-4-5-11-22(2)15-19-18(14-20-21-19)16-7-9-17(10-8-16)24-13-6-12-23-3/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,23,24);5-12,14H,3-4,13,15H2,1-2H3,(H,23,24);7-10,14H,4-6,11-13,15H2,1-3H3,(H,20,21)
• InChIKey: GYINFDPONZVUAQ-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 212.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 37
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.88
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine?

The IUPAC name of 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine (CID 158403073) is 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine.

What is the SMILES notation for 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine?

The canonical SMILES for 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1[nH]ncc1-c1ccc(OCCCOC)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2cccc(OC)c2)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2F)cc1.

What is the InChIKey of 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine?

The InChIKey is GYINFDPONZVUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.C22H27N3O2.C21H24FN3O.C19H29N3O2/c1-4-5-13-27(3)16-21-20(15-25-26-21)17-11-12-22(19(14-17)23(28)24-2)29-18-9-7-6-8-10-18;1-4-5-13-25(2)16-22-21(15-23-24-22)17-9-11-18(12-10-17)27-20-8-6-7-19(14-20)26-3;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;1-4-5-11-22(2)15-19-18(14-20-21-19)16-7-9-17(10-8-16)24-13-6-12-23-3/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,23,24);5-12,14H,3-4,13,15H2,1-2H3,(H,23,24);7-10,14H,4-6,11-13,15H2,1-3H3,(H,20,21).

What are the key properties of 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine?

5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1442.88 g/mol, XLogP of 18.53, 37 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 158403073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).