N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide

C23H21N5O2 — CID 90517558

IUPACN-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide
SMILESCC(C(=O)N(Cc1ccccc1)c1ccccc1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C23H21N5O2/c1-18(28-22(29)14-13-21(25-28)27-16-8-15-24-27)23(30)26(20-11-6-3-7-12-20)17-19-9-4-2-5-10-19/h2-16,18H,17H2,1H3
InChIKeyOGWFGBIDSDYORD-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.22
Rot. Bonds6

About N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide

N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide (PubChem CID 90517558) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide
PubChem CID90517558
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide
SMILESCC(C(=O)N(Cc1ccccc1)c1ccccc1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C23H21N5O2/c1-18(28-22(29)14-13-21(25-28)27-16-8-15-24-27)23(30)26(20-11-6-3-7-12-20)17-19-9-4-2-5-10-19/h2-16,18H,17H2,1H3
InChIKeyOGWFGBIDSDYORD-UHFFFAOYSA-N
XLogP3.22
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide?
The IUPAC name of N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide (CID 90517558) is N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide?
The canonical SMILES for N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide is CC(C(=O)N(Cc1ccccc1)c1ccccc1)n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide?
The InChIKey is OGWFGBIDSDYORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-18(28-22(29)14-13-21(25-28)27-16-8-15-24-27)23(30)26(20-11-6-3-7-12-20)17-19-9-4-2-5-10-19/h2-16,18H,17H2,1H3.
What are the key properties of N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide?
N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide has a molecular weight of 399.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 90517558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).