N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide

C25H23N3O3 — CID 42144597

IUPACN-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(OCC(=O)N2CCC(c3ccccc3)=N2)c1
InChIInChI=1S/C25H23N3O3/c29-24(28-15-14-23(27-28)20-10-5-2-6-11-20)18-31-22-13-7-12-21(16-22)25(30)26-17-19-8-3-1-4-9-19/h1-13,16H,14-15,17-18H2,(H,26,30)
InChIKeyXPXHPOGCLAYOMN-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.63
Rot. Bonds7

About N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide

N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide (PubChem CID 42144597) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide
PubChem CID42144597
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(OCC(=O)N2CCC(c3ccccc3)=N2)c1
InChIInChI=1S/C25H23N3O3/c29-24(28-15-14-23(27-28)20-10-5-2-6-11-20)18-31-22-13-7-12-21(16-22)25(30)26-17-19-8-3-1-4-9-19/h1-13,16H,14-15,17-18H2,(H,26,30)
InChIKeyXPXHPOGCLAYOMN-UHFFFAOYSA-N
XLogP3.63
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide (CID 42144597) is N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide is O=C(NCc1ccccc1)c1cccc(OCC(=O)N2CCC(c3ccccc3)=N2)c1.
What is the InChIKey of N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide?
The InChIKey is XPXHPOGCLAYOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-24(28-15-14-23(27-28)20-10-5-2-6-11-20)18-31-22-13-7-12-21(16-22)25(30)26-17-19-8-3-1-4-9-19/h1-13,16H,14-15,17-18H2,(H,26,30).
What are the key properties of N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide?
N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide has a molecular weight of 413.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide is sourced from PubChem (CID 42144597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).