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

C17H15N5O3 — CID 90517248

IUPACN-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1
InChIInChI=1S/C17H15N5O3/c1-12(23)13-4-2-5-14(10-13)19-16(24)11-22-17(25)7-6-15(20-22)21-9-3-8-18-21/h2-10H,11H2,1H3,(H,19,24)
InChIKeyCUEKDSZXRXZFBS-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.27
Rot. Bonds5

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

N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (PubChem CID 90517248) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
PubChem CID90517248
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1
InChIInChI=1S/C17H15N5O3/c1-12(23)13-4-2-5-14(10-13)19-16(24)11-22-17(25)7-6-15(20-22)21-9-3-8-18-21/h2-10H,11H2,1H3,(H,19,24)
InChIKeyCUEKDSZXRXZFBS-UHFFFAOYSA-N
XLogP1.27
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517277
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-(2,3-dimethylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517292
N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517401
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517381
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517315
N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665990
N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073446
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517349
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538716
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-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (CID 90517248) is N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is CC(=O)c1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The InChIKey is CUEKDSZXRXZFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-12(23)13-4-2-5-14(10-13)19-16(24)11-22-17(25)7-6-15(20-22)21-9-3-8-18-21/h2-10H,11H2,1H3,(H,19,24).
What are the key properties of N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide has a molecular weight of 337.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 90517248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).