3-[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 66893141

IUPAC3-[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(CC(C(N)=O)n2ncc(Oc3cccc4c3CCCC4)cc2=O)n1
InChIInChI=1S/C24H29N5O4/c1-24(2,32)15-28-11-10-17(27-28)12-20(23(25)31)29-22(30)13-18(14-26-29)33-21-9-5-7-16-6-3-4-8-19(16)21/h5,7,9-11,13-14,20,32H,3-4,6,8,12,15H2,1-2H3,(H2,25,31)
InChIKeyNNRGNFHDDWPIPS-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.15
Rot. Bonds8

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

3-[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 66893141) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-[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 Name3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide
PubChem CID66893141
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name3-[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(CC(C(N)=O)n2ncc(Oc3cccc4c3CCCC4)cc2=O)n1
InChIInChI=1S/C24H29N5O4/c1-24(2,32)15-28-11-10-17(27-28)12-20(23(25)31)29-22(30)13-18(14-26-29)33-21-9-5-7-16-6-3-4-8-19(16)21/h5,7,9-11,13-14,20,32H,3-4,6,8,12,15H2,1-2H3,(H2,25,31)
InChIKeyNNRGNFHDDWPIPS-UHFFFAOYSA-N
XLogP2.15
TPSA125.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[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 3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide (CID 66893141) is 3-[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 3-[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 3-[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(CC(C(N)=O)n2ncc(Oc3cccc4c3CCCC4)cc2=O)n1.
What is the InChIKey of 3-[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 NNRGNFHDDWPIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-24(2,32)15-28-11-10-17(27-28)12-20(23(25)31)29-22(30)13-18(14-26-29)33-21-9-5-7-16-6-3-4-8-19(16)21/h5,7,9-11,13-14,20,32H,3-4,6,8,12,15H2,1-2H3,(H2,25,31).
What are the key properties of 3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide?
3-[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 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[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 66893141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).