4-methyl-2-phenylpyrazolidin-3-one

C10H12N2O — CID 3752124

IUPAC4-methyl-2-phenylpyrazolidin-3-one
SMILESCC1CNN(c2ccccc2)C1=O
InChIInChI=1S/C10H12N2O/c1-8-7-11-12(10(8)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKeyLBZPFGXJKJZTRS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.17
Rot. Bonds1

About 4-methyl-2-phenylpyrazolidin-3-one

4-methyl-2-phenylpyrazolidin-3-one (PubChem CID 3752124) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-methyl-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-methyl-2-phenylpyrazolidin-3-one
PubChem CID3752124
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-methyl-2-phenylpyrazolidin-3-one
SMILESCC1CNN(c2ccccc2)C1=O
InChIInChI=1S/C10H12N2O/c1-8-7-11-12(10(8)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKeyLBZPFGXJKJZTRS-UHFFFAOYSA-N
XLogP1.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mofebutazone
CID 16639
Phenidone
CID 7090
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
1-phenyl-2,3-dihydro-1H-pyrazol-3-one
CID 594724
1-Phenyl-tetrahydro-pyridazin-3-one
CID 367858
3-tert-butyl-1-phenyl-1H-pyrazol-5-ol
CID 849362
1-(4-Chlorophenyl)pyrazolidin-3-one
CID 2801550

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylpyrazolidin-3-one?
The IUPAC name of 4-methyl-2-phenylpyrazolidin-3-one (CID 3752124) is 4-methyl-2-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-methyl-2-phenylpyrazolidin-3-one?
The canonical SMILES for 4-methyl-2-phenylpyrazolidin-3-one is CC1CNN(c2ccccc2)C1=O.
What is the InChIKey of 4-methyl-2-phenylpyrazolidin-3-one?
The InChIKey is LBZPFGXJKJZTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-7-11-12(10(8)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3.
What are the key properties of 4-methyl-2-phenylpyrazolidin-3-one?
4-methyl-2-phenylpyrazolidin-3-one has a molecular weight of 176.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 3752124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).