1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

C11H12N2O2 — CID 135530194

IUPAC1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCC(c2ccccc2O)=N1
InChIInChI=1S/C11H12N2O2/c1-8(14)13-7-6-10(12-13)9-4-2-3-5-11(9)15/h2-5,15H,6-7H2,1H3
InChIKeyUASUAAITTVATDE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.35
Rot. Bonds1

About 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 135530194) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID135530194
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCC(c2ccccc2O)=N1
InChIInChI=1S/C11H12N2O2/c1-8(14)13-7-6-10(12-13)9-4-2-3-5-11(9)15/h2-5,15H,6-7H2,1H3
InChIKeyUASUAAITTVATDE-UHFFFAOYSA-N
XLogP1.35
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
CID 135605950
N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-2-piperidin-1-ylacetohydrazide
CID 135671630
4,5-Dihydro-(1H)-pyrazole derivative, 3g
CID 11499518
4,5-Dihydro-(1H)-pyrazole derivative, 3l
CID 135424775
4,5-Dihydro-(1H)-pyrazole derivative, 3m
CID 135489458
4,5-Dihydro-(1H)-pyrazole derivative, 3n
CID 135502906
2-[6-[Benzyl(methyl)amino]hexyl]-6-(2-hydroxyphenyl)pyridazin-3-one
CID 168281821
2-[6-[Benzyl(ethyl)amino]hexyl]-6-(2-hydroxyphenyl)pyridazin-3-one
CID 168286326
2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
CID 135576308
2,2,2-Trifluoro-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
CID 127034298
1-[3-(4-Hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
CID 2866241
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 3157875

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 135530194) is 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1CCC(c2ccccc2O)=N1.
What is the InChIKey of 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is UASUAAITTVATDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(14)13-7-6-10(12-13)9-4-2-3-5-11(9)15/h2-5,15H,6-7H2,1H3.
What are the key properties of 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 204.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 135530194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).