2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one

C15H13N3O3 — CID 19909756

IUPAC2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one
SMILESCC1C(=O)N(c2ccc(O)c(O)c2)N=C1c1cccnc1
InChIInChI=1S/C15H13N3O3/c1-9-14(10-3-2-6-16-8-10)17-18(15(9)21)11-4-5-12(19)13(20)7-11/h2-9,19-20H,1H3
InChIKeyXELZHIVUXBXVTH-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.88
Rot. Bonds2

About 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one

2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one (PubChem CID 19909756) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one
PubChem CID19909756
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one
SMILESCC1C(=O)N(c2ccc(O)c(O)c2)N=C1c1cccnc1
InChIInChI=1S/C15H13N3O3/c1-9-14(10-3-2-6-16-8-10)17-18(15(9)21)11-4-5-12(19)13(20)7-11/h2-9,19-20H,1H3
InChIKeyXELZHIVUXBXVTH-UHFFFAOYSA-N
XLogP1.88
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one
CID 19909723
2-(4-methylphenyl)-4-propyl-5-pyridin-3-yl-4H-pyrazol-3-one
CID 19909819
(3aS,6aS)-5-(4-methoxyphenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98198424
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
1-(2-hydroxy-5-pyridin-3-ylphenyl)ethanone
CID 148842399
(3aS,6aS)-5-(3,5-dichlorophenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7732517
(3aS,6aS)-5-(4-bromophenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7714770
3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
CID 135154717
4-methyl-5-pyridin-3-ylpyridin-3-ol
CID 175581528
(3aS,6aS)-5-(2,4-dimethylphenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98198429
2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one
CID 22173484
4-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]-2-(4-methoxy-3-pyridin-3-ylphenyl)-5-methyl-4H-pyrazol-3-one
CID 152785673

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one (CID 19909756) is 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one is CC1C(=O)N(c2ccc(O)c(O)c2)N=C1c1cccnc1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one?
The InChIKey is XELZHIVUXBXVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-14(10-3-2-6-16-8-10)17-18(15(9)21)11-4-5-12(19)13(20)7-11/h2-9,19-20H,1H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one?
2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one has a molecular weight of 283.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-4-methyl-5-pyridin-3-yl-4H-pyrazol-3-one is sourced from PubChem (CID 19909756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).