N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide

C21H25N5O3 — CID 110220528

IUPACN-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)n2nc(-c3c(C)nn(C)c3C)ccc2=O)cc1
InChIInChI=1S/C21H25N5O3/c1-6-29-17-9-7-16(8-10-17)22-21(28)15(4)26-19(27)12-11-18(24-26)20-13(2)23-25(5)14(20)3/h7-12,15H,6H2,1-5H3,(H,22,28)
InChIKeyGKGMIXLNPKYKQF-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.86
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide

N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (PubChem CID 110220528) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
PubChem CID110220528
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)n2nc(-c3c(C)nn(C)c3C)ccc2=O)cc1
InChIInChI=1S/C21H25N5O3/c1-6-29-17-9-7-16(8-10-17)22-21(28)15(4)26-19(27)12-11-18(24-26)20-13(2)23-25(5)14(20)3/h7-12,15H,6H2,1-5H3,(H,22,28)
InChIKeyGKGMIXLNPKYKQF-UHFFFAOYSA-N
XLogP2.86
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220544
N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517503
(2S)-N-(2,5-difluorophenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 95800919
N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279954
(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 51595694
(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 51595695
(2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 94199898
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101317
(2R)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 28623322
3-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194766
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 19535701
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]propanamide
CID 122278956

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (CID 110220528) is N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide is CCOc1ccc(NC(=O)C(C)n2nc(-c3c(C)nn(C)c3C)ccc2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The InChIKey is GKGMIXLNPKYKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-6-29-17-9-7-16(8-10-17)22-21(28)15(4)26-19(27)12-11-18(24-26)20-13(2)23-25(5)14(20)3/h7-12,15H,6H2,1-5H3,(H,22,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide has a molecular weight of 395.46 g/mol, XLogP of 2.86, 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-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide is sourced from PubChem (CID 110220528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).