3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one

C11H12N2O4 — CID 117123206

IUPAC3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccc(O)cc2)c(O)c1CCO
InChIInChI=1S/C11H12N2O4/c14-6-5-9-10(16)12-13(11(9)17)7-1-3-8(15)4-2-7/h1-4,14-15,17H,5-6H2,(H,12,16)
InChIKeyAJCDZFAYECBZBH-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.11
Rot. Bonds3

About 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one

3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one (PubChem CID 117123206) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
PubChem CID117123206
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccc(O)cc2)c(O)c1CCO
InChIInChI=1S/C11H12N2O4/c14-6-5-9-10(16)12-13(11(9)17)7-1-3-8(15)4-2-7/h1-4,14-15,17H,5-6H2,(H,12,16)
InChIKeyAJCDZFAYECBZBH-UHFFFAOYSA-N
XLogP0.11
TPSA98.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-4-(2-hydroxyethyl)-2-(4-methylphenyl)-1H-pyrazol-5-one
CID 117123176
4-(2-aminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
CID 117123210
3-hydroxy-4-(2-hydroxyethyl)-2-(3-methylphenyl)-1H-pyrazol-5-one
CID 117123118
2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
CID 117123068
4-(3-aminopropyl)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-one
CID 117123169
3-[3-hydroxy-5-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanoic acid
CID 117123174
3-hydroxy-2-[4-(hydroxymethyl)phenyl]-5-oxo-1H-pyrazole-4-carbaldehyde
CID 136613505
4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 117124240
4-(3-aminopropyl)-2-(2-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one
CID 117123073
3-[3-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4-yl]propanoic acid
CID 117123164
5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one
CID 136999564
1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
CID 83863809

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one?
The IUPAC name of 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one (CID 117123206) is 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one?
The canonical SMILES for 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one is O=c1[nH]n(-c2ccc(O)cc2)c(O)c1CCO.
What is the InChIKey of 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one?
The InChIKey is AJCDZFAYECBZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-6-5-9-10(16)12-13(11(9)17)7-1-3-8(15)4-2-7/h1-4,14-15,17H,5-6H2,(H,12,16).
What are the key properties of 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one?
3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one has a molecular weight of 236.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 117123206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).