N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

C17H17N5O2 — CID 90517292

IUPACN-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1C
InChIInChI=1S/C17H17N5O2/c1-12-5-3-6-14(13(12)2)19-16(23)11-22-17(24)8-7-15(20-22)21-10-4-9-18-21/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyAUZUCTGSTIPDRI-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.68
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (PubChem CID 90517292) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
PubChem CID90517292
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1C
InChIInChI=1S/C17H17N5O2/c1-12-5-3-6-14(13(12)2)19-16(23)11-22-17(24)8-7-15(20-22)21-10-4-9-18-21/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyAUZUCTGSTIPDRI-UHFFFAOYSA-N
XLogP1.68
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517248
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517381
N-(3-chlorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517277
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517315
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-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517349
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7659740
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27262241
N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 56764835

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (CID 90517292) is N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is Cc1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The InChIKey is AUZUCTGSTIPDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-5-3-6-14(13(12)2)19-16(23)11-22-17(24)8-7-15(20-22)21-10-4-9-18-21/h3-10H,11H2,1-2H3,(H,19,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 90517292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).