N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide

C18H19N5O3 — CID 90517503

IUPACN-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)n2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C18H19N5O3/c1-3-26-15-7-5-14(6-8-15)20-18(25)13(2)23-17(24)10-9-16(21-23)22-12-4-11-19-22/h4-13H,3H2,1-2H3,(H,20,25)
InChIKeySFRKBTUDVIRLBT-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.03
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide

N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (PubChem CID 90517503) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
PubChem CID90517503
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)n2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C18H19N5O3/c1-3-26-15-7-5-14(6-8-15)20-18(25)13(2)23-17(24)10-9-16(21-23)22-12-4-11-19-22/h4-13H,3H2,1-2H3,(H,20,25)
InChIKeySFRKBTUDVIRLBT-UHFFFAOYSA-N
XLogP2.03
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517675
ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
CID 90517480
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517663
N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517462
2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 90517531
N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220528
N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279954
1-(4-ethoxyphenyl)-3-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121072973
(2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 94199898
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517415
1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (CID 90517503) is N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide is CCOc1ccc(NC(=O)C(C)n2nc(-n3cccn3)ccc2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The InChIKey is SFRKBTUDVIRLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-3-26-15-7-5-14(6-8-15)20-18(25)13(2)23-17(24)10-9-16(21-23)22-12-4-11-19-22/h4-13H,3H2,1-2H3,(H,20,25).
What are the key properties of N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide has a molecular weight of 353.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 90517503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).