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

C23H27FN4O — CID 56539392

IUPAC2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NCCc1ccccc1
InChIInChI=1S/C23H27FN4O/c1-28(17-23(29)25-14-13-18-6-3-2-4-7-18)15-5-8-21-16-22(27-26-21)19-9-11-20(24)12-10-19/h2-4,6-7,9-12,16H,5,8,13-15,17H2,1H3,(H,25,29)(H,26,27)
InChIKeyLUTIYKPQXLPTRI-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.44
Rot. Bonds10

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

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide (PubChem CID 56539392) 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-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
PubChem CID56539392
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NCCc1ccccc1
InChIInChI=1S/C23H27FN4O/c1-28(17-23(29)25-14-13-18-6-3-2-4-7-18)15-5-8-21-16-22(27-26-21)19-9-11-20(24)12-10-19/h2-4,6-7,9-12,16H,5,8,13-15,17H2,1H3,(H,25,29)(H,26,27)
InChIKeyLUTIYKPQXLPTRI-UHFFFAOYSA-N
XLogP3.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide (CID 56539392) is 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is LUTIYKPQXLPTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-28(17-23(29)25-14-13-18-6-3-2-4-7-18)15-5-8-21-16-22(27-26-21)19-9-11-20(24)12-10-19/h2-4,6-7,9-12,16H,5,8,13-15,17H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide?
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 394.49 g/mol, XLogP of 3.44, 10 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 56539392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).