4-hydroxy-1-phenylpyrazolidin-3-one

C9H10N2O2 — CID 22417558

IUPAC4-hydroxy-1-phenylpyrazolidin-3-one
SMILESO=C1NN(c2ccccc2)CC1O
InChIInChI=1S/C9H10N2O2/c12-8-6-11(10-9(8)13)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,13)
InChIKeyJVOPHRRNWBVMJJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.10
Rot. Bonds1

About 4-hydroxy-1-phenylpyrazolidin-3-one

4-hydroxy-1-phenylpyrazolidin-3-one (PubChem CID 22417558) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-hydroxy-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-hydroxy-1-phenylpyrazolidin-3-one
PubChem CID22417558
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-hydroxy-1-phenylpyrazolidin-3-one
SMILESO=C1NN(c2ccccc2)CC1O
InChIInChI=1S/C9H10N2O2/c12-8-6-11(10-9(8)13)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,13)
InChIKeyJVOPHRRNWBVMJJ-UHFFFAOYSA-N
XLogP-0.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-phenylpyrazolidin-3-one
CID 158996523
(4R)-4-methyl-1-phenylpyrazolidin-3-one
CID 685628
benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one
CID 163578199
4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one
CID 14840377
4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
CID 14840375
4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
CID 23393107
methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
CID 159587587
4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
CID 14840376
1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
CID 14840379
4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10560937
sodium;1-phenylpyrazolidin-3-one;bromide
CID 157299139
4-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10750236

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenylpyrazolidin-3-one?
The IUPAC name of 4-hydroxy-1-phenylpyrazolidin-3-one (CID 22417558) is 4-hydroxy-1-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-hydroxy-1-phenylpyrazolidin-3-one?
The canonical SMILES for 4-hydroxy-1-phenylpyrazolidin-3-one is O=C1NN(c2ccccc2)CC1O.
What is the InChIKey of 4-hydroxy-1-phenylpyrazolidin-3-one?
The InChIKey is JVOPHRRNWBVMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-8-6-11(10-9(8)13)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,13).
What are the key properties of 4-hydroxy-1-phenylpyrazolidin-3-one?
4-hydroxy-1-phenylpyrazolidin-3-one has a molecular weight of 178.19 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 22417558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).