4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

C25H25N5O2 — CID 122305793

IUPAC4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(Oc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1
InChIInChI=1S/C25H25N5O2/c1-5-19-6-8-20(9-7-19)25(31)26-21-10-12-22(13-11-21)32-24-15-14-23(27-28-24)30-18(4)16(2)17(3)29-30/h6-15H,5H2,1-4H3,(H,26,31)
InChIKeyXZNVAQIUTAMGKD-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.19
Rot. Bonds6

About 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (PubChem CID 122305793) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
PubChem CID122305793
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(Oc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1
InChIInChI=1S/C25H25N5O2/c1-5-19-6-8-20(9-7-19)25(31)26-21-10-12-22(13-11-21)32-24-15-14-23(27-28-24)30-18(4)16(2)17(3)29-30/h6-15H,5H2,1-4H3,(H,26,31)
InChIKeyXZNVAQIUTAMGKD-UHFFFAOYSA-N
XLogP5.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305742
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 122305790
2-bromo-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306101
2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305771
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
CID 122305906
2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305937
4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
CID 122305786
1-(4-ethylphenyl)-3-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
CID 56919860
4-(trifluoromethoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311318
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pentoxybenzamide
CID 122307143
(E)-3-(2-chlorophenyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]prop-2-enamide
CID 122305918
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The IUPAC name of 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (CID 122305793) is 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(Oc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The InChIKey is XZNVAQIUTAMGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-5-19-6-8-20(9-7-19)25(31)26-21-10-12-22(13-11-21)32-24-15-14-23(27-28-24)30-18(4)16(2)17(3)29-30/h6-15H,5H2,1-4H3,(H,26,31).
What are the key properties of 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide has a molecular weight of 427.51 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122305793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).