1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid

C10H8N2O4 — CID 83889206

IUPAC1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN(c2cccc(O)c2)C(=O)C1
InChIInChI=1S/C10H8N2O4/c13-7-3-1-2-6(4-7)12-9(14)5-8(11-12)10(15)16/h1-4,13H,5H2,(H,15,16)
InChIKeyNKTBBUDFHMCTKD-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.57
Rot. Bonds2

About 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid

1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid (PubChem CID 83889206) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
PubChem CID83889206
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN(c2cccc(O)c2)C(=O)C1
InChIInChI=1S/C10H8N2O4/c13-7-3-1-2-6(4-7)12-9(14)5-8(11-12)10(15)16/h1-4,13H,5H2,(H,15,16)
InChIKeyNKTBBUDFHMCTKD-UHFFFAOYSA-N
XLogP0.57
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_A(7)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,2-dicyanoethenylamino)phenyl]-5-oxo-4H-pyrazole-3-carboxylic acid
CID 168544113
1-[3-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-4H-pyrazole-3-carboxylic acid
CID 169372239
1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54978174
5-benzoyl-2-phenyl-4H-pyrazol-3-one
CID 12609851
1-[3-[2,3-bis(methoxycarbonyl)azepin-1-yl]phenyl]-5-oxo-4H-pyrazole-3-carboxylic acid
CID 168649143
1-(2,4-dimethylphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
CID 61389334
3-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
CID 19001194
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
CID 820347
1-(6-chloropyridazin-3-yl)-5-oxo-4H-pyrazole-3-carboxylic acid
CID 61389259
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid
CID 61389260
5-methyl-2-(3-methylsulfanylphenyl)-4H-pyrazol-3-one
CID 10214499

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid (CID 83889206) is 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid is O=C(O)C1=NN(c2cccc(O)c2)C(=O)C1.
What is the InChIKey of 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid?
The InChIKey is NKTBBUDFHMCTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-7-3-1-2-6(4-7)12-9(14)5-8(11-12)10(15)16/h1-4,13H,5H2,(H,15,16).
What are the key properties of 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid?
1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 83889206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).