3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide

C25H28N4O2 — CID 78830466

IUPAC3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-18(30)26-22(19-10-4-2-5-11-19)17-25(31)27-24-16-23(20-12-8-9-13-20)28-29(24)21-14-6-3-7-15-21/h2-7,10-11,14-16,20,22H,8-9,12-13,17H2,1H3,(H,26,30)(H,27,31)
InChIKeyDAOSXKAYJYSLOW-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.74
Rot. Bonds7

About 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide

3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide (PubChem CID 78830466) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide
PubChem CID78830466
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-18(30)26-22(19-10-4-2-5-11-19)17-25(31)27-24-16-23(20-12-8-9-13-20)28-29(24)21-14-6-3-7-15-21/h2-7,10-11,14-16,20,22H,8-9,12-13,17H2,1H3,(H,26,30)(H,27,31)
InChIKeyDAOSXKAYJYSLOW-UHFFFAOYSA-N
XLogP4.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide (CID 78830466) is 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide?
The InChIKey is DAOSXKAYJYSLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18(30)26-22(19-10-4-2-5-11-19)17-25(31)27-24-16-23(20-12-8-9-13-20)28-29(24)21-14-6-3-7-15-21/h2-7,10-11,14-16,20,22H,8-9,12-13,17H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide?
3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide has a molecular weight of 416.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 78830466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).