N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine

C83H119F5N17O3+ — CID 161495122

About N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine

N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine (PubChem CID 161495122) has the molecular formula C83H119F5N17O3+ and a molecular weight of 1497.97 g/mol. Its IUPAC name is N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

• Compound Name: N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine
• PubChem CID: 161495122
• Molecular Formula: C83H119F5N17O3+
• Molecular Weight: 1497.97 g/mol
• Exact Mass: 1496.96
• IUPAC Name: N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine
• SMILES: CCCN(C)Cc1cnn(CCO)c1-c1ccc(F)cc1.CCCN(CC)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(CCC)Cc1cn[nH]c1-c1ccc(F)cc1.COCC[N+]1=CC(CN(C)CCN(C)C)C(c2ccc(F)cc2)=N1.COCCn1ncc(CN(C)CCN(C)C)c1-c1ccc(F)cc1
• InChI: InChI=1S/C18H28FN4O.C18H27FN4O.C16H22FN3O.C16H22FN3.C15H20FN3/c1-21(2)9-10-22(3)13-16-14-23(11-12-24-4)20-18(16)15-5-7-17(19)8-6-15;1-21(2)9-10-22(3)14-16-13-20-23(11-12-24-4)18(16)15-5-7-17(19)8-6-15;1-3-8-19(2)12-14-11-18-20(9-10-21)16(14)13-4-6-15(17)7-5-13;1-3-9-20(10-4-2)12-14-11-18-19-16(14)13-5-7-15(17)8-6-13;1-3-9-19(4-2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12/h5-8,14,16H,9-13H2,1-4H3;5-8,13H,9-12,14H2,1-4H3;4-7,11,21H,3,8-10,12H2,1-2H3;5-8,11H,3-4,9-10,12H2,1-2H3,(H,18,19);5-8,10H,3-4,9,11H2,1-2H3,(H,17,18)/q+1
• InChIKey: YWHSVDDNTGZLJB-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 169.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 38
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.97
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine?

The IUPAC name of N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine (CID 161495122) is N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine.

What is the SMILES notation for N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine?

The canonical SMILES for N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine is CCCN(C)Cc1cnn(CCO)c1-c1ccc(F)cc1.CCCN(CC)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(CCC)Cc1cn[nH]c1-c1ccc(F)cc1.COCC[N+]1=CC(CN(C)CCN(C)C)C(c2ccc(F)cc2)=N1.COCCn1ncc(CN(C)CCN(C)C)c1-c1ccc(F)cc1.

What is the InChIKey of N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine?

The InChIKey is YWHSVDDNTGZLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN4O.C18H27FN4O.C16H22FN3O.C16H22FN3.C15H20FN3/c1-21(2)9-10-22(3)13-16-14-23(11-12-24-4)20-18(16)15-5-7-17(19)8-6-15;1-21(2)9-10-22(3)14-16-13-20-23(11-12-24-4)18(16)15-5-7-17(19)8-6-15;1-3-8-19(2)12-14-11-18-20(9-10-21)16(14)13-4-6-15(17)7-5-13;1-3-9-20(10-4-2)12-14-11-18-19-16(14)13-5-7-15(17)8-6-13;1-3-9-19(4-2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12/h5-8,14,16H,9-13H2,1-4H3;5-8,13H,9-12,14H2,1-4H3;4-7,11,21H,3,8-10,12H2,1-2H3;5-8,11H,3-4,9-10,12H2,1-2H3,(H,18,19);5-8,10H,3-4,9,11H2,1-2H3,(H,17,18)/q+1;;;;.

What are the key properties of N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine?

N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 1497.97 g/mol, XLogP of 13.52, 38 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 161495122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).