2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid

C11H10N2O4 — CID 83895937

IUPAC2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2cccc(O)c2)[nH]c1=O
InChIInChI=1S/C11H10N2O4/c14-9-3-1-2-8(5-9)13-6-7(4-10(15)16)11(17)12-13/h1-3,5-6,14H,4H2,(H,12,17)(H,15,16)
InChIKeyKJFJMOYIYFLKRY-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.50
Rot. Bonds3

About 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid

2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid (PubChem CID 83895937) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
PubChem CID83895937
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2cccc(O)c2)[nH]c1=O
InChIInChI=1S/C11H10N2O4/c14-9-3-1-2-8(5-9)13-6-7(4-10(15)16)11(17)12-13/h1-3,5-6,14H,4H2,(H,12,17)(H,15,16)
InChIKeyKJFJMOYIYFLKRY-UHFFFAOYSA-N
XLogP0.50
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
CID 83888737
2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
CID 83896960
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
3-[2-(3-hydroxyphenyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid
CID 115068713
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
3-[2-(3-hydroxyphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]propanoic acid
CID 117124050
benzene-1,3-diol;3-oxopropanoic acid
CID 138611766
3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid
CID 82369403
4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one
CID 117123879
3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 84735417
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
2-[3-(3-hydroxyanilino)phenyl]acetic acid
CID 70009460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid (CID 83895937) is 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid is O=C(O)Cc1cn(-c2cccc(O)c2)[nH]c1=O.
What is the InChIKey of 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid?
The InChIKey is KJFJMOYIYFLKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-9-3-1-2-8(5-9)13-6-7(4-10(15)16)11(17)12-13/h1-3,5-6,14H,4H2,(H,12,17)(H,15,16).
What are the key properties of 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid?
2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid has a molecular weight of 234.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 83895937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).