3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one

C9H8N2O2 — CID 4039462

IUPAC3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2ccccc2O)=NN1
InChIInChI=1S/C9H8N2O2/c12-8-4-2-1-3-6(8)7-5-9(13)11-10-7/h1-4,12H,5H2,(H,11,13)
InChIKeyPKRMXFQTESAARM-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.62
Rot. Bonds1

About 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one

3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one (PubChem CID 4039462) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one
PubChem CID4039462
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2ccccc2O)=NN1
InChIInChI=1S/C9H8N2O2/c12-8-4-2-1-3-6(8)7-5-9(13)11-10-7/h1-4,12H,5H2,(H,11,13)
InChIKeyPKRMXFQTESAARM-UHFFFAOYSA-N
XLogP0.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 135520028
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
N'-[1-(2,4-dihydroxyphenyl)ethylidene]octanohydrazide
CID 135401351
2-{2-[1-(2-Hydroxyphenyl)propylidene]hydrazino}-2-oxoacetamide
CID 135521546
Lsd1-IN-30
CID 135442596
6-(2-Hydroxyphenyl)-3(2H)-pyridazinone
CID 3017346
[(3-hydroxyphenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile
CID 4073989
4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
CID 6367995
2-(4-fluorophenyl)-N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]acetohydrazide
CID 135472799
trans-(1R,2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 136254460
N'-[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]benzohydrazide
CID 135445575
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 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one (CID 4039462) is 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one is O=C1CC(c2ccccc2O)=NN1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one?
The InChIKey is PKRMXFQTESAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-8-4-2-1-3-6(8)7-5-9(13)11-10-7/h1-4,12H,5H2,(H,11,13).
What are the key properties of 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one?
3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one has a molecular weight of 176.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 4039462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).