1-phenylpyrazolidin-3-one

C9H10N2O — CID 7090

IUPAC1-phenylpyrazolidin-3-one
SMILESO=C1CCN(c2ccccc2)N1
InChIInChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKeyCMCWWLVWPDLCRM-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.93
Rot. Bonds1

About 1-phenylpyrazolidin-3-one

1-phenylpyrazolidin-3-one (PubChem CID 7090) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name1-phenylpyrazolidin-3-one
PubChem CID7090
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-phenylpyrazolidin-3-one
SMILESO=C1CCN(c2ccccc2)N1
InChIInChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKeyCMCWWLVWPDLCRM-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-phenylpyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mofebutazone
CID 16639
4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
CID 92238
4-Methyl-1-phenylpyrazolidin-3-one
CID 98282
N-Acetyl-1,2-diphenylhydrazine
CID 140901
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
Dimezone
CID 75861
4,4-Diethyl-1-phenyl-3,5-pyrazolidinedione
CID 3031300
6-hydroxy-2-phenylpyridazin-3(2H)-one
CID 74333
1-phenyl-2,3-dihydro-1H-pyrazol-3-one
CID 594724
1,2-Diphenyl-3,5-pyrazolidinedione
CID 17561
1-Phenyl-tetrahydro-pyridazin-3-one
CID 367858
1-(4-Chlorophenyl)pyrazolidin-3-one
CID 2801550

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazolidin-3-one?
The IUPAC name of 1-phenylpyrazolidin-3-one (CID 7090) is 1-phenylpyrazolidin-3-one.
What is the SMILES notation for 1-phenylpyrazolidin-3-one?
The canonical SMILES for 1-phenylpyrazolidin-3-one is O=C1CCN(c2ccccc2)N1.
What is the InChIKey of 1-phenylpyrazolidin-3-one?
The InChIKey is CMCWWLVWPDLCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12).
What are the key properties of 1-phenylpyrazolidin-3-one?
1-phenylpyrazolidin-3-one has a molecular weight of 162.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazolidin-3-one is sourced from PubChem (CID 7090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).