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

C106H140ClFN16O7 — CID 157274922

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

5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 157274922) has the molecular formula C106H140ClFN16O7 and a molecular weight of 1804.84 g/mol. Its IUPAC name is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

• Compound Name: 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
• PubChem CID: 157274922
• Molecular Formula: C106H140ClFN16O7
• Molecular Weight: 1804.84 g/mol
• Exact Mass: 1803.08
• IUPAC Name: 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
• SMILES: CCCCN(C)Cc1cn[nH]c1-c1cc(C(C)C)cc(C(C)C)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCCOC)c(Cl)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(F)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(OC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1
• InChI: InChI=1S/C23H28N4O2.C22H27N3O2.C21H24FN3O.C21H33N3.C19H28ClN3O2/c1-4-5-13-27(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;1-4-5-13-25(2)16-18-15-23-24-22(18)17-9-11-19(12-10-17)27-21-8-6-7-20(14-21)26-3;1-3-4-12-25(2)15-17-14-23-24-21(17)16-8-10-19(11-9-16)26-20-7-5-6-18(22)13-20;1-7-8-9-24(6)14-20-13-22-23-21(20)19-11-17(15(2)3)10-18(12-19)16(4)5;1-4-5-9-23(2)14-16-13-21-22-19(16)15-7-8-18(17(20)12-15)25-11-6-10-24-3/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);5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,24);10-13,15-16H,7-9,14H2,1-6H3,(H,22,23);7-8,12-13H,4-6,9-11,14H2,1-3H3,(H,21,22)
• InChIKey: AYZDJJHOZRBKCV-UHFFFAOYSA-N
• XLogP: 24.74
• TPSA: 244.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 45
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1804.84
LogP ≤ 5	24.74
H-Bond Donors ≤ 5	6
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-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?

The IUPAC name of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 157274922) is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

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

The canonical SMILES for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1cc(C(C)C)cc(C(C)C)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCCOC)c(Cl)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(F)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(OC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1.

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

The InChIKey is AYZDJJHOZRBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.C22H27N3O2.C21H24FN3O.C21H33N3.C19H28ClN3O2/c1-4-5-13-27(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;1-4-5-13-25(2)16-18-15-23-24-22(18)17-9-11-19(12-10-17)27-21-8-6-7-20(14-21)26-3;1-3-4-12-25(2)15-17-14-23-24-21(17)16-8-10-19(11-9-16)26-20-7-5-6-18(22)13-20;1-7-8-9-24(6)14-20-13-22-23-21(20)19-11-17(15(2)3)10-18(12-19)16(4)5;1-4-5-9-23(2)14-16-13-21-22-19(16)15-7-8-18(17(20)12-15)25-11-6-10-24-3/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);5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,24);10-13,15-16H,7-9,14H2,1-6H3,(H,22,23);7-8,12-13H,4-6,9-11,14H2,1-3H3,(H,21,22).

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

5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1804.84 g/mol, XLogP of 24.74, 45 rotatable bonds, 6 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-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 157274922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).