N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide

C18H19N5O3 — CID 91938934

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCOc1cc(=O)n(CC(=O)Nc2cc(C)nn2C)nc1-c1ccccc1
InChIInChI=1S/C18H19N5O3/c1-12-9-15(22(2)20-12)19-16(24)11-23-17(25)10-14(26-3)18(21-23)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyHYBVTZDGHFVKPP-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.60
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 91938934) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID91938934
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCOc1cc(=O)n(CC(=O)Nc2cc(C)nn2C)nc1-c1ccccc1
InChIInChI=1S/C18H19N5O3/c1-12-9-15(22(2)20-12)19-16(24)11-23-17(25)10-14(26-3)18(21-23)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyHYBVTZDGHFVKPP-UHFFFAOYSA-N
XLogP1.60
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830904
N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
CID 91938956
N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938943
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938931
2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830886
N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 46992082
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
CID 97458800
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 51127361
N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
CID 71926452
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 91938934) is N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide is COc1cc(=O)n(CC(=O)Nc2cc(C)nn2C)nc1-c1ccccc1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is HYBVTZDGHFVKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-9-15(22(2)20-12)19-16(24)11-23-17(25)10-14(26-3)18(21-23)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 91938934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).