N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine

C66H93F4N13O — CID 162116559

About N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine

N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine (PubChem CID 162116559) has the molecular formula C66H93F4N13O and a molecular weight of 1160.55 g/mol. Its IUPAC name is N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine
• PubChem CID: 162116559
• Molecular Formula: C66H93F4N13O
• Molecular Weight: 1160.55 g/mol
• Exact Mass: 1159.76
• IUPAC Name: N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine
• SMILES: CCCCN(C)Cc1cn(CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1.CCN(CCNC)Cc1cn[nH]c1-c1ccc(F)cc1
• InChI: InChI=1S/C17H24FN3O.2C17H24FN3.C15H21FN4/c1-4-9-20(2)13-15-12-19-21(10-11-22-3)17(15)14-5-7-16(18)8-6-14;1-4-6-11-20(3)12-15-13-21(5-2)19-17(15)14-7-9-16(18)10-8-14;1-4-6-11-20(3)13-15-12-19-21(5-2)17(15)14-7-9-16(18)10-8-14;1-3-20(9-8-17-2)11-13-10-18-19-15(13)12-4-6-14(16)7-5-12/h5-8,12H,4,9-11,13H2,1-3H3;7-10,13H,4-6,11-12H2,1-3H3;7-10,12H,4-6,11,13H2,1-3H3;4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19)
• InChIKey: ZGVNFBSMLBEOSS-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 116.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 29
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1160.55
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

The IUPAC name of N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine (CID 162116559) is N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine.

What is the SMILES notation for N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

The canonical SMILES for N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine is CCCCN(C)Cc1cn(CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1.CCN(CCNC)Cc1cn[nH]c1-c1ccc(F)cc1.

What is the InChIKey of N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

The InChIKey is ZGVNFBSMLBEOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O.2C17H24FN3.C15H21FN4/c1-4-9-20(2)13-15-12-19-21(10-11-22-3)17(15)14-5-7-16(18)8-6-14;1-4-6-11-20(3)12-15-13-21(5-2)19-17(15)14-7-9-16(18)10-8-14;1-4-6-11-20(3)13-15-12-19-21(5-2)17(15)14-7-9-16(18)10-8-14;1-3-20(9-8-17-2)11-13-10-18-19-15(13)12-4-6-14(16)7-5-12/h5-8,12H,4,9-11,13H2,1-3H3;7-10,13H,4-6,11-12H2,1-3H3;7-10,12H,4-6,11,13H2,1-3H3;4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19).

What are the key properties of N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 1160.55 g/mol, XLogP of 13.32, 29 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 162116559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).