4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one

C21H19N3O — CID 101428663

IUPAC4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one
SMILESC=C1CC(=O)N(c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)C1
InChIInChI=1S/C21H19N3O/c1-15-8-10-17(11-9-15)19-13-20(23-14-16(2)12-21(23)25)24(22-19)18-6-4-3-5-7-18/h3-11,13H,2,12,14H2,1H3
InChIKeyIMXKKDAGXRDCID-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.14
Rot. Bonds3

About 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one

4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one (PubChem CID 101428663) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one
PubChem CID101428663
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one
SMILESC=C1CC(=O)N(c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)C1
InChIInChI=1S/C21H19N3O/c1-15-8-10-17(11-9-15)19-13-20(23-14-16(2)12-21(23)25)24(22-19)18-6-4-3-5-7-18/h3-11,13H,2,12,14H2,1H3
InChIKeyIMXKKDAGXRDCID-UHFFFAOYSA-N
XLogP4.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one
CID 155934961
(1,3-diphenylpyrazol-5-yl) 4-methylbenzoate
CID 42726766
3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-1H-benzimidazole-2-thione
CID 8024255
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 42758347
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]benzaldehyde
CID 156501566
4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168699785
3-(4-iodophenyl)-1-phenylpyrazol-5-amine
CID 43336728
1-anthracen-9-yl-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]methanimine
CID 132814570
1,3,5-triphenylpyrazole
CID 626614

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one (CID 101428663) is 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one is C=C1CC(=O)N(c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)C1.
What is the InChIKey of 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one?
The InChIKey is IMXKKDAGXRDCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-8-10-17(11-9-15)19-13-20(23-14-16(2)12-21(23)25)24(22-19)18-6-4-3-5-7-18/h3-11,13H,2,12,14H2,1H3.
What are the key properties of 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one?
4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 101428663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).