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

C11H11ClN2O3 — CID 117123068

IUPAC2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccccc2Cl)c(O)c1CCO
InChIInChI=1S/C11H11ClN2O3/c12-8-3-1-2-4-9(8)14-11(17)7(5-6-15)10(16)13-14/h1-4,15,17H,5-6H2,(H,13,16)
InChIKeyBQIWEFZZIIVROK-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.06
Rot. Bonds3

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

2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one (PubChem CID 117123068) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
PubChem CID117123068
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccccc2Cl)c(O)c1CCO
InChIInChI=1S/C11H11ClN2O3/c12-8-3-1-2-4-9(8)14-11(17)7(5-6-15)10(16)13-14/h1-4,15,17H,5-6H2,(H,13,16)
InChIKeyBQIWEFZZIIVROK-UHFFFAOYSA-N
XLogP1.06
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-(2-hydroxyethyl)-2-(4-methylphenyl)-1H-pyrazol-5-one
CID 117123176
2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde
CID 137000036
4-(3-aminopropyl)-2-(2-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one
CID 117123073
3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
CID 117123206
3-hydroxy-4-(2-hydroxyethyl)-2-(3-methylphenyl)-1H-pyrazol-5-one
CID 117123118
4-(3-aminopropyl)-2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 117123339
2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 134938574
4-(2-aminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
CID 117123210
ethyl 2-(2-chlorophenyl)-3-oxo-1H-pyrazole-4-carboxylate
CID 58158628
ethyl 2-(2-chlorophenyl)-4-methyl-3-oxo-1H-pyrazole-5-carboxylate
CID 102538236
2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 66021073
5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one
CID 54273790

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one?
The IUPAC name of 2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one (CID 117123068) is 2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one is O=c1[nH]n(-c2ccccc2Cl)c(O)c1CCO.
What is the InChIKey of 2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one?
The InChIKey is BQIWEFZZIIVROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-8-3-1-2-4-9(8)14-11(17)7(5-6-15)10(16)13-14/h1-4,15,17H,5-6H2,(H,13,16).
What are the key properties of 2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one?
2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one has a molecular weight of 254.67 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one is sourced from PubChem (CID 117123068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).