2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol

C13H11N5O — CID 136626067

IUPAC2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol
SMILESNc1ccc(-c2ccc(-n3cccn3)cc2O)nn1
InChIInChI=1S/C13H11N5O/c14-13-5-4-11(16-17-13)10-3-2-9(8-12(10)19)18-7-1-6-15-18/h1-8,19H,(H2,14,17)
InChIKeySHCGCGPUBIHESX-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.62
Rot. Bonds2

About 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol

2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol (PubChem CID 136626067) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol
PubChem CID136626067
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol
SMILESNc1ccc(-c2ccc(-n3cccn3)cc2O)nn1
InChIInChI=1S/C13H11N5O/c14-13-5-4-11(16-17-13)10-3-2-9(8-12(10)19)18-7-1-6-15-18/h1-8,19H,(H2,14,17)
InChIKeySHCGCGPUBIHESX-UHFFFAOYSA-N
XLogP1.62
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 137092427
5-pyrazol-1-yl-2-(6,7,8,9-tetrahydro-5H-pyridazino[3,4-b]azepin-3-yl)phenol
CID 170041837
2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol
CID 156844604
tert-butyl 4-[6-(2-hydroxy-4-pyrazol-1-ylphenyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 139270457
2-[6-chloro-2-(2-hydroxyethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol
CID 156844564
2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 167369772
2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 170041588
2-[9-[(1R)-3,3-difluorocyclopentyl]-5,6,7,8-tetrahydropyridazino[3,4-b]azepin-3-yl]-5-pyrazol-1-ylphenol
CID 170042774
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
2-bromo-4-pyrazol-1-ylbenzamide
CID 107282932
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 166646392

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol?
The IUPAC name of 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol (CID 136626067) is 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol.
What is the SMILES notation for 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol?
The canonical SMILES for 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol is Nc1ccc(-c2ccc(-n3cccn3)cc2O)nn1.
What is the InChIKey of 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol?
The InChIKey is SHCGCGPUBIHESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-13-5-4-11(16-17-13)10-3-2-9(8-12(10)19)18-7-1-6-15-18/h1-8,19H,(H2,14,17).
What are the key properties of 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol?
2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol has a molecular weight of 253.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol is sourced from PubChem (CID 136626067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).