N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide

C26H27N5O5 — CID 66893458

IUPACN-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccn(CC(C)(C)O)n1)n1ncc(Oc2cccc(Oc3ccccc3)c2)cc1=O
InChIInChI=1S/C26H27N5O5/c1-18(25(33)28-23-12-13-30(29-23)17-26(2,3)34)31-24(32)15-22(16-27-31)36-21-11-7-10-20(14-21)35-19-8-5-4-6-9-19/h4-16,18,34H,17H2,1-3H3,(H,28,29,33)
InChIKeyUAGPXBBEHMQGNS-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.99
Rot. Bonds9

About N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide

N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide (PubChem CID 66893458) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide
PubChem CID66893458
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccn(CC(C)(C)O)n1)n1ncc(Oc2cccc(Oc3ccccc3)c2)cc1=O
InChIInChI=1S/C26H27N5O5/c1-18(25(33)28-23-12-13-30(29-23)17-26(2,3)34)31-24(32)15-22(16-27-31)36-21-11-7-10-20(14-21)35-19-8-5-4-6-9-19/h4-16,18,34H,17H2,1-3H3,(H,28,29,33)
InChIKeyUAGPXBBEHMQGNS-UHFFFAOYSA-N
XLogP3.99
TPSA120.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide (CID 66893458) is N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide is CC(C(=O)Nc1ccn(CC(C)(C)O)n1)n1ncc(Oc2cccc(Oc3ccccc3)c2)cc1=O.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide?
The InChIKey is UAGPXBBEHMQGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-18(25(33)28-23-12-13-30(29-23)17-26(2,3)34)31-24(32)15-22(16-27-31)36-21-11-7-10-20(14-21)35-19-8-5-4-6-9-19/h4-16,18,34H,17H2,1-3H3,(H,28,29,33).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide?
N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide has a molecular weight of 489.53 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(3-phenoxyphenoxy)pyridazin-1-yl]propanamide is sourced from PubChem (CID 66893458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).