4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

C25H25N5O2 — CID 122305003

IUPAC4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn2)n1
InChIInChI=1S/C25H25N5O2/c1-17-15-16-30(29-17)22-13-14-23(28-27-22)32-21-11-9-20(10-12-21)26-24(31)18-5-7-19(8-6-18)25(2,3)4/h5-16H,1-4H3,(H,26,31)
InChIKeySQFFDENUVZDNHK-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.31
Rot. Bonds5

About 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (PubChem CID 122305003) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
PubChem CID122305003
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn2)n1
InChIInChI=1S/C25H25N5O2/c1-17-15-16-30(29-17)22-13-14-23(28-27-22)32-21-11-9-20(10-12-21)26-24(31)18-5-7-19(8-6-18)25(2,3)4/h5-16H,1-4H3,(H,26,31)
InChIKeySQFFDENUVZDNHK-UHFFFAOYSA-N
XLogP5.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
CID 122305025
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
CID 122305024
4-tert-butyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306515
5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122305218
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305087
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122305201
3-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]propanamide
CID 122305197
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122305340
4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122305050
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305093

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (CID 122305003) is 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is Cc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn2)n1.
What is the InChIKey of 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The InChIKey is SQFFDENUVZDNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-15-16-30(29-17)22-13-14-23(28-27-22)32-21-11-9-20(10-12-21)26-24(31)18-5-7-19(8-6-18)25(2,3)4/h5-16H,1-4H3,(H,26,31).
What are the key properties of 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide has a molecular weight of 427.51 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122305003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).