2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide

C24H29N5O4 — CID 66893139

IUPAC2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide
SMILESCC(C)(O)Cn1ccc(C(C)(C(N)=O)n2ncc(Oc3cccc4c3CCCC4)cc2=O)n1
InChIInChI=1S/C24H29N5O4/c1-23(2,32)15-28-12-11-20(27-28)24(3,22(25)31)29-21(30)13-17(14-26-29)33-19-10-6-8-16-7-4-5-9-18(16)19/h6,8,10-14,32H,4-5,7,9,15H2,1-3H3,(H2,25,31)
InChIKeyZLTOYVCFLJGHPQ-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.13
Rot. Bonds7

About 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide

2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide (PubChem CID 66893139) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide
PubChem CID66893139
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide
SMILESCC(C)(O)Cn1ccc(C(C)(C(N)=O)n2ncc(Oc3cccc4c3CCCC4)cc2=O)n1
InChIInChI=1S/C24H29N5O4/c1-23(2,32)15-28-12-11-20(27-28)24(3,22(25)31)29-21(30)13-17(14-26-29)33-19-10-6-8-16-7-4-5-9-18(16)19/h6,8,10-14,32H,4-5,7,9,15H2,1-3H3,(H2,25,31)
InChIKeyZLTOYVCFLJGHPQ-UHFFFAOYSA-N
XLogP2.13
TPSA125.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide?
The IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide (CID 66893139) is 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide.
What is the SMILES notation for 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide?
The canonical SMILES for 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide is CC(C)(O)Cn1ccc(C(C)(C(N)=O)n2ncc(Oc3cccc4c3CCCC4)cc2=O)n1.
What is the InChIKey of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide?
The InChIKey is ZLTOYVCFLJGHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-23(2,32)15-28-12-11-20(27-28)24(3,22(25)31)29-21(30)13-17(14-26-29)33-19-10-6-8-16-7-4-5-9-18(16)19/h6,8,10-14,32H,4-5,7,9,15H2,1-3H3,(H2,25,31).
What are the key properties of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide?
2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide has a molecular weight of 451.53 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide is sourced from PubChem (CID 66893139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).