N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C96H133F5N18O3 — CID 158718705

IUPACN-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCO)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)cc1.CCCN(C)Cc1cnn(CCO)c1-c1ccc(F)cc1.CCCN(CC)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(CCC)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H25N3O.2C16H22FN3O.2C16H22FN3.C15H20FN3/c1-5-10-20(4)12-15-11-18-19-17(15)14-6-8-16(9-7-14)21-13(2)3;1-3-8-19(2)11-14-12-20(9-10-21)18-16(14)13-4-6-15(17)7-5-13;1-3-8-19(2)12-14-11-18-20(9-10-21)16(14)13-4-6-15(17)7-5-13;1-3-4-5-10-20(2)12-14-11-18-19-16(14)13-6-8-15(17)9-7-13;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/h6-9,11,13H,5,10,12H2,1-4H3,(H,18,19);4-7,12,21H,3,8-11H2,1-2H3;4-7,11,21H,3,8-10,12H2,1-2H3;6-9,11H,3-5,10,12H2,1-2H3,(H,18,19);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)
InChIKeyIJQJNKTZLJNACB-UHFFFAOYSA-N
MW1682.23 g/mol
LogP19.88
Rot. Bonds41

About N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 158718705) has the molecular formula C96H133F5N18O3 and a molecular weight of 1682.23 g/mol. Its IUPAC name is N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID158718705
Molecular FormulaC96H133F5N18O3
Molecular Weight1682.23 g/mol
Exact Mass1681.07
IUPAC NameN-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCO)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)cc1.CCCN(C)Cc1cnn(CCO)c1-c1ccc(F)cc1.CCCN(CC)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(CCC)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H25N3O.2C16H22FN3O.2C16H22FN3.C15H20FN3/c1-5-10-20(4)12-15-11-18-19-17(15)14-6-8-16(9-7-14)21-13(2)3;1-3-8-19(2)11-14-12-20(9-10-21)18-16(14)13-4-6-15(17)7-5-13;1-3-8-19(2)12-14-11-18-20(9-10-21)16(14)13-4-6-15(17)7-5-13;1-3-4-5-10-20(2)12-14-11-18-19-16(14)13-6-8-15(17)9-7-13;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/h6-9,11,13H,5,10,12H2,1-4H3,(H,18,19);4-7,12,21H,3,8-11H2,1-2H3;4-7,11,21H,3,8-10,12H2,1-2H3;6-9,11H,3-5,10,12H2,1-2H3,(H,18,19);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)
InChIKeyIJQJNKTZLJNACB-UHFFFAOYSA-N
XLogP19.88
TPSA219.49 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds41
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001682.23
LogP ≤ 519.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 158718705) is N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCO)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)cc1.CCCN(C)Cc1cnn(CCO)c1-c1ccc(F)cc1.CCCN(CC)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(CCC)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is IJQJNKTZLJNACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2C16H22FN3O.2C16H22FN3.C15H20FN3/c1-5-10-20(4)12-15-11-18-19-17(15)14-6-8-16(9-7-14)21-13(2)3;1-3-8-19(2)11-14-12-20(9-10-21)18-16(14)13-4-6-15(17)7-5-13;1-3-8-19(2)12-14-11-18-20(9-10-21)16(14)13-4-6-15(17)7-5-13;1-3-4-5-10-20(2)12-14-11-18-19-16(14)13-6-8-15(17)9-7-13;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/h6-9,11,13H,5,10,12H2,1-4H3,(H,18,19);4-7,12,21H,3,8-11H2,1-2H3;4-7,11,21H,3,8-10,12H2,1-2H3;6-9,11H,3-5,10,12H2,1-2H3,(H,18,19);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).
What are the key properties of N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1682.23 g/mol, XLogP of 19.88, 41 rotatable bonds, 6 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;2-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpentan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine;N-methyl-N-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 158718705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).