N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C64H93F8N9O6 — CID 158168715

About N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 158168715) has the molecular formula C64H93F8N9O6 and a molecular weight of 1236.49 g/mol. Its IUPAC name is N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
• PubChem CID: 158168715
• Molecular Formula: C64H93F8N9O6
• Molecular Weight: 1236.49 g/mol
• Exact Mass: 1235.71
• IUPAC Name: N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
• SMILES: CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(OCCOC)cc1OCC.CCCCN(C)Cc1cn[nH]c1-c1cc(OCC(C)C)cc(C(C)(F)F)c1C.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCCOC)c(C(F)(F)F)c1C
• InChI: InChI=1S/C22H33F2N3O.C21H30F3N3O3.C21H30F3N3O2/c1-7-8-9-27(6)13-17-12-25-26-21(17)19-10-18(28-14-15(2)3)11-20(16(19)4)22(5,23)24;1-5-7-8-27(3)14-15-13-25-26-20(15)16-11-17(21(22,23)24)19(30-10-9-28-4)12-18(16)29-6-2;1-5-6-10-27(3)14-16-13-25-26-20(16)17-8-9-18(29-12-7-11-28-4)19(15(17)2)21(22,23)24/h10-12,15H,7-9,13-14H2,1-6H3,(H,25,26);11-13H,5-10,14H2,1-4H3,(H,25,26);8-9,13H,5-7,10-12,14H2,1-4H3,(H,25,26)
• InChIKey: FXEFQTCKWLXBKH-UHFFFAOYSA-N
• XLogP: 15.57
• TPSA: 151.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 33
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1236.49
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?

The IUPAC name of N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 158168715) is N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

What is the SMILES notation for N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?

The canonical SMILES for N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(OCCOC)cc1OCC.CCCCN(C)Cc1cn[nH]c1-c1cc(OCC(C)C)cc(C(C)(F)F)c1C.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCCOC)c(C(F)(F)F)c1C.

What is the InChIKey of N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?

The InChIKey is FXEFQTCKWLXBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F2N3O.C21H30F3N3O3.C21H30F3N3O2/c1-7-8-9-27(6)13-17-12-25-26-21(17)19-10-18(28-14-15(2)3)11-20(16(19)4)22(5,23)24;1-5-7-8-27(3)14-15-13-25-26-20(15)16-11-17(21(22,23)24)19(30-10-9-28-4)12-18(16)29-6-2;1-5-6-10-27(3)14-16-13-25-26-20(16)17-8-9-18(29-12-7-11-28-4)19(15(17)2)21(22,23)24/h10-12,15H,7-9,13-14H2,1-6H3,(H,25,26);11-13H,5-10,14H2,1-4H3,(H,25,26);8-9,13H,5-7,10-12,14H2,1-4H3,(H,25,26).

What are the key properties of N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?

N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1236.49 g/mol, XLogP of 15.57, 33 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 158168715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).