1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one

C12H14N2O — CID 72947438

IUPAC1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one
SMILESC=C1C(=O)N(c2ccccc2)N(C)C1C
InChIInChI=1S/C12H14N2O/c1-9-10(2)13(3)14(12(9)15)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3
InChIKeyJFIBXJVUBSZSPW-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.82
Rot. Bonds1

About 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one

1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one (PubChem CID 72947438) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one
PubChem CID72947438
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one
SMILESC=C1C(=O)N(c2ccccc2)N(C)C1C
InChIInChI=1S/C12H14N2O/c1-9-10(2)13(3)14(12(9)15)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3
InChIKeyJFIBXJVUBSZSPW-UHFFFAOYSA-N
XLogP1.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Antipyrine
CID 2206
Propyphenazone
CID 3778
Phenidone
CID 7090
Feprazone
CID 35455
4-Methyl-1-phenylpyrazolidin-3-one
CID 98282
Dimezone
CID 75861
2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
CID 70371
1,2-Diphenyl-3,5-pyrazolidinedione
CID 17561
1,2-Dihydro-1,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one
CID 201234
(4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 2799571
3,5-Pyrazolidinedione, 1,2-diphenyl-4-isopropylidene-
CID 96342
2-Pyrazolin-5-one, 4-((dimethylamino)methylene)-3-methyl-1-phenyl-
CID 3034605

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one?
The IUPAC name of 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one (CID 72947438) is 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one.
What is the SMILES notation for 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one?
The canonical SMILES for 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one is C=C1C(=O)N(c2ccccc2)N(C)C1C.
What is the InChIKey of 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one?
The InChIKey is JFIBXJVUBSZSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-10(2)13(3)14(12(9)15)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3.
What are the key properties of 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one?
1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-methylidene-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 72947438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).