3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide

C18H19N5O4 — CID 90538642

IUPAC3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1OC
InChIInChI=1S/C18H19N5O4/c1-26-14-5-4-13(12-15(14)27-2)18(25)19-9-11-23-17(24)7-6-16(21-23)22-10-3-8-20-22/h3-8,10,12H,9,11H2,1-2H3,(H,19,25)
InChIKeyPPGSNUJBSMQYJS-UHFFFAOYSA-N
MW369.38 g/mol
LogP0.88
Rot. Bonds7

About 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide

3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide (PubChem CID 90538642) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
PubChem CID90538642
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1OC
InChIInChI=1S/C18H19N5O4/c1-26-14-5-4-13(12-15(14)27-2)18(25)19-9-11-23-17(24)7-6-16(21-23)22-10-3-8-20-22/h3-8,10,12H,9,11H2,1-2H3,(H,19,25)
InChIKeyPPGSNUJBSMQYJS-UHFFFAOYSA-N
XLogP0.88
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538716
2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538738
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-phenoxybenzamide
CID 90538856
6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
CID 90538846
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90538823
4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538681
4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538679
2-bromo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538817
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90538675
2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539209
3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
CID 110205119

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide (CID 90538642) is 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide is COc1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is PPGSNUJBSMQYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-26-14-5-4-13(12-15(14)27-2)18(25)19-9-11-23-17(24)7-6-16(21-23)22-10-3-8-20-22/h3-8,10,12H,9,11H2,1-2H3,(H,19,25).
What are the key properties of 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 369.38 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 90538642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).