N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

C15H11ClN6O4 — CID 90517401

IUPACN-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-n2cccn2)ccc1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN6O4/c16-11-3-2-10(8-12(11)22(25)26)18-14(23)9-21-15(24)5-4-13(19-21)20-7-1-6-17-20/h1-8H,9H2,(H,18,23)
InChIKeyIHSMWGFDOOAXCC-UHFFFAOYSA-N
MW374.74 g/mol
LogP1.63
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (PubChem CID 90517401) has the molecular formula C15H11ClN6O4 and a molecular weight of 374.74 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
PubChem CID90517401
Molecular FormulaC15H11ClN6O4
Molecular Weight374.74 g/mol
Exact Mass374.05
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-n2cccn2)ccc1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN6O4/c16-11-3-2-10(8-12(11)22(25)26)18-14(23)9-21-15(24)5-4-13(19-21)20-7-1-6-17-20/h1-8H,9H2,(H,18,23)
InChIKeyIHSMWGFDOOAXCC-UHFFFAOYSA-N
XLogP1.63
TPSA124.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.74
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517277
N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517248
N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517378
methyl 4-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]benzoate
CID 90517251
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide
CID 24582205
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517315
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 47350216
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517381
N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265865

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (CID 90517401) is N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The InChIKey is IHSMWGFDOOAXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6O4/c16-11-3-2-10(8-12(11)22(25)26)18-14(23)9-21-15(24)5-4-13(19-21)20-7-1-6-17-20/h1-8H,9H2,(H,18,23).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide has a molecular weight of 374.74 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 90517401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).