1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol

C16H15N3O — CID 155902986

IUPAC1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCn1cccn1
InChIInChI=1S/C16H15N3O/c20-16-7-6-13-4-1-2-5-14(13)15(16)12-17-9-11-19-10-3-8-18-19/h1-8,10,12,20H,9,11H2/b17-12+
InChIKeyGPHVRFUGNGTYLY-SFQUDFHCSA-N
MW265.32 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol

1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol (PubChem CID 155902986) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol
PubChem CID155902986
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCn1cccn1
InChIInChI=1S/C16H15N3O/c20-16-7-6-13-4-1-2-5-14(13)15(16)12-17-9-11-19-10-3-8-18-19/h1-8,10,12,20H,9,11H2/b17-12+
InChIKeyGPHVRFUGNGTYLY-SFQUDFHCSA-N
XLogP2.86
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-1-ol
CID 11601866
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-2-ol
CID 11659444
1-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)imino]methyl}-2-naphthol
CID 780497
6-(3-Hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol
CID 50942605
2-(2-Pyrazol-1-ylethyliminomethyl)phenol
CID 136244550
2-[(4-Aminopyrazol-1-yl)methyl]-6-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 162652333
2-(2-Methylpyrazol-3-yl)naphthalen-1-ol
CID 135453834
6-(2-Benzylpyrazol-3-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 136259470
N'-[(2-hydroxy-1-naphthyl)methylene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135533788
2-Benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol
CID 67818565
4-[2-[4-Hydroxy-2-(trifluoromethyl)phenyl]ethynyl]-3-(3-pyrazol-1-ylpropyl)benzonitrile
CID 121271192
6-Fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol
CID 159544927

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol (CID 155902986) is 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/CCn1cccn1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol?
The InChIKey is GPHVRFUGNGTYLY-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16-7-6-13-4-1-2-5-14(13)15(16)12-17-9-11-19-10-3-8-18-19/h1-8,10,12,20H,9,11H2/b17-12+.
What are the key properties of 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol?
1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol has a molecular weight of 265.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 155902986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).