2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide

C23H27FN4O — CID 56539587

IUPAC2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1
InChIInChI=1S/C23H27FN4O/c1-17(18-7-4-3-5-8-18)25-23(29)16-28(2)14-6-9-21-15-22(27-26-21)19-10-12-20(24)13-11-19/h3-5,7-8,10-13,15,17H,6,9,14,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyOEEVWEHEUQVEMC-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.96
Rot. Bonds9

About 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide (PubChem CID 56539587) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
PubChem CID56539587
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1
InChIInChI=1S/C23H27FN4O/c1-17(18-7-4-3-5-8-18)25-23(29)16-28(2)14-6-9-21-15-22(27-26-21)19-10-12-20(24)13-11-19/h3-5,7-8,10-13,15,17H,6,9,14,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyOEEVWEHEUQVEMC-UHFFFAOYSA-N
XLogP3.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 56570962
N-[(4-chlorophenyl)methyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539714
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 56539493
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 56539806
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 107204145
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56571223
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539419
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201
2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 46444841

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide (CID 56539587) is 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1.
What is the InChIKey of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is OEEVWEHEUQVEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-17(18-7-4-3-5-8-18)25-23(29)16-28(2)14-6-9-21-15-22(27-26-21)19-10-12-20(24)13-11-19/h3-5,7-8,10-13,15,17H,6,9,14,16H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide?
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 394.49 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 56539587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).