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

C16H15N5O2S — CID 90517378

IUPACN-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1
InChIInChI=1S/C16H15N5O2S/c1-24-13-5-2-4-12(10-13)18-15(22)11-21-16(23)7-6-14(19-21)20-9-3-8-17-20/h2-10H,11H2,1H3,(H,18,22)
InChIKeyUYEVDANTNREQQX-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.79
Rot. Bonds5

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

N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (PubChem CID 90517378) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
PubChem CID90517378
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1
InChIInChI=1S/C16H15N5O2S/c1-24-13-5-2-4-12(10-13)18-15(22)11-21-16(23)7-6-14(19-21)20-9-3-8-17-20/h2-10H,11H2,1H3,(H,18,22)
InChIKeyUYEVDANTNREQQX-UHFFFAOYSA-N
XLogP1.79
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517248
N-(3-chlorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517277
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-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 52901306
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517315
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517381
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 39934079
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517349
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-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (CID 90517378) is N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is CSc1cccc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The InChIKey is UYEVDANTNREQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-24-13-5-2-4-12(10-13)18-15(22)11-21-16(23)7-6-14(19-21)20-9-3-8-17-20/h2-10H,11H2,1H3,(H,18,22).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide has a molecular weight of 341.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 90517378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).