N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C65H91F10N9O4 — CID 158839643

About N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 158839643) has the molecular formula C65H91F10N9O4 and a molecular weight of 1252.48 g/mol. Its IUPAC name is N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• PubChem CID: 158839643
• Molecular Formula: C65H91F10N9O4
• Molecular Weight: 1252.48 g/mol
• Exact Mass: 1251.70
• IUPAC Name: N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• SMILES: CCCCN(C)Cc1cn[nH]c1-c1cc(OC(CC)CC)cc(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCC2CCOCC2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCCC(F)(F)F)cc(C(C)(F)F)c1
• InChI: InChI=1S/C23H33F2N3O2.C21H28F5N3O.C21H30F3N3O/c1-4-5-8-28(3)15-19-14-26-27-22(19)18-11-20(23(2,24)25)13-21(12-18)30-16-17-6-9-29-10-7-17;1-4-5-8-29(3)14-16-13-27-28-19(16)15-10-17(20(2,22)23)12-18(11-15)30-9-6-7-21(24,25)26;1-5-8-9-27(4)14-16-13-25-26-20(16)15-10-17(21(22,23)24)12-19(11-15)28-18(6-2)7-3/h11-14,17H,4-10,15-16H2,1-3H3,(H,26,27);10-13H,4-9,14H2,1-3H3,(H,27,28);10-13,18H,5-9,14H2,1-4H3,(H,25,26)
• InChIKey: IYBPIZBPPBJLBR-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 132.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1252.48
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The IUPAC name of N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 158839643) is N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

What is the SMILES notation for N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The canonical SMILES for N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1cc(OC(CC)CC)cc(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCC2CCOCC2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCCC(F)(F)F)cc(C(C)(F)F)c1.

What is the InChIKey of N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The InChIKey is IYBPIZBPPBJLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F2N3O2.C21H28F5N3O.C21H30F3N3O/c1-4-5-8-28(3)15-19-14-26-27-22(19)18-11-20(23(2,24)25)13-21(12-18)30-16-17-6-9-29-10-7-17;1-4-5-8-29(3)14-16-13-27-28-19(16)15-10-17(20(2,22)23)12-18(11-15)30-9-6-7-21(24,25)26;1-5-8-9-27(4)14-16-13-25-26-20(16)15-10-17(21(22,23)24)12-19(11-15)28-18(6-2)7-3/h11-14,17H,4-10,15-16H2,1-3H3,(H,26,27);10-13H,4-9,14H2,1-3H3,(H,27,28);10-13,18H,5-9,14H2,1-4H3,(H,25,26).

What are the key properties of N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1252.48 g/mol, XLogP of 17.26, 31 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-(1,1-difluoroethyl)-5-(oxan-4-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(4,4,4-trifluorobutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-pentan-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 158839643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).