4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C85H133F2N13O9 — CID 160556261

About 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 160556261) has the molecular formula C85H133F2N13O9 and a molecular weight of 1519.08 g/mol. Its IUPAC name is 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
• PubChem CID: 160556261
• Molecular Formula: C85H133F2N13O9
• Molecular Weight: 1519.08 g/mol
• Exact Mass: 1518.03
• IUPAC Name: 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
• SMILES: C.C.CCCCN(C)Cc1cn[nH]c1-c1cc(OC2CCOCC2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCOC)cc(C(C)(C)COCC)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCC(O)CO)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C24H39N3O3.C22H31F2N3O2.C19H29N3O3.C18H26N4O.2CH4/c1-7-9-10-27(5)17-20-16-25-26-23(20)19-13-21(24(3,4)18-29-8-2)15-22(14-19)30-12-11-28-6;1-4-5-8-27(3)15-17-14-25-26-21(17)16-11-18(22(2,23)24)13-20(12-16)29-19-6-9-28-10-7-19;1-3-4-10-22(2)13-16-12-20-21-19(16)15-5-7-18(8-6-15)25-11-9-17(24)14-23;1-3-8-21(2)14-16-13-19-20-18(16)15-4-6-17(7-5-15)22-9-11-23-12-10-22;;/h13-16H,7-12,17-18H2,1-6H3,(H,25,26);11-14,19H,4-10,15H2,1-3H3,(H,25,26);5-8,12,17,23-24H,3-4,9-11,13-14H2,1-2H3,(H,20,21);4-7,13H,3,8-12,14H2,1-2H3,(H,19,20);2*1H4
• InChIKey: QYSLLVRYIKUZDT-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 235.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 40
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1519.08
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	6
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 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?

The IUPAC name of 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 160556261) is 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

What is the SMILES notation for 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?

The canonical SMILES for 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is C.C.CCCCN(C)Cc1cn[nH]c1-c1cc(OC2CCOCC2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCOC)cc(C(C)(C)COCC)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCC(O)CO)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCOCC2)cc1.

What is the InChIKey of 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?

The InChIKey is QYSLLVRYIKUZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3.C22H31F2N3O2.C19H29N3O3.C18H26N4O.2CH4/c1-7-9-10-27(5)17-20-16-25-26-23(20)19-13-21(24(3,4)18-29-8-2)15-22(14-19)30-12-11-28-6;1-4-5-8-27(3)15-17-14-25-26-21(17)16-11-18(22(2,23)24)13-20(12-16)29-19-6-9-28-10-7-19;1-3-4-10-22(2)13-16-12-20-21-19(16)15-5-7-18(8-6-15)25-11-9-17(24)14-23;1-3-8-21(2)14-16-13-19-20-18(16)15-4-6-17(7-5-15)22-9-11-23-12-10-22;;/h13-16H,7-12,17-18H2,1-6H3,(H,25,26);11-14,19H,4-10,15H2,1-3H3,(H,25,26);5-8,12,17,23-24H,3-4,9-11,13-14H2,1-2H3,(H,20,21);4-7,13H,3,8-12,14H2,1-2H3,(H,19,20);2*1H4.

What are the key properties of 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?

4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1519.08 g/mol, XLogP of 16.08, 40 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]butane-1,2-diol;N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1-ethoxy-2-methylpropan-2-yl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-(4-morpholin-4-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 160556261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).