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

C23H27FN4O2 — CID 86900506

IUPACN-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1
InChIInChI=1S/C23H27FN4O2/c1-3-30-21-11-9-19(10-12-21)25-23(29)16-28(2)13-5-8-20-15-22(27-26-20)17-6-4-7-18(24)14-17/h4,6-7,9-12,14-15H,3,5,8,13,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyMDXMJPFSGWTQFJ-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.12
Rot. Bonds10

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

N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide (PubChem CID 86900506) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
PubChem CID86900506
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1
InChIInChI=1S/C23H27FN4O2/c1-3-30-21-11-9-19(10-12-21)25-23(29)16-28(2)13-5-8-20-15-22(27-26-20)17-6-4-7-18(24)14-17/h4,6-7,9-12,14-15H,3,5,8,13,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyMDXMJPFSGWTQFJ-UHFFFAOYSA-N
XLogP4.12
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide (CID 86900506) is N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide is CCOc1ccc(NC(=O)CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The InChIKey is MDXMJPFSGWTQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-3-30-21-11-9-19(10-12-21)25-23(29)16-28(2)13-5-8-20-15-22(27-26-20)17-6-4-7-18(24)14-17/h4,6-7,9-12,14-15H,3,5,8,13,16H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide has a molecular weight of 410.49 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide is sourced from PubChem (CID 86900506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).