3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione

C14H13N3O3 — CID 10683508

IUPAC3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione
SMILESCC1=NN(c2ccccc2)C(=O)C1C1CC(=O)NC1=O
InChIInChI=1S/C14H13N3O3/c1-8-12(10-7-11(18)15-13(10)19)14(20)17(16-8)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,15,18,19)
InChIKeyLXSSDCLNOUVJHB-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.69
Rot. Bonds2

About 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione

3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione (PubChem CID 10683508) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione
PubChem CID10683508
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione
SMILESCC1=NN(c2ccccc2)C(=O)C1C1CC(=O)NC1=O
InChIInChI=1S/C14H13N3O3/c1-8-12(10-7-11(18)15-13(10)19)14(20)17(16-8)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,15,18,19)
InChIKeyLXSSDCLNOUVJHB-UHFFFAOYSA-N
XLogP0.69
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione
CID 5240208
3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 106821036
(4R)-5-methyl-2-phenyl-4-(9H-xanthen-9-yl)-4H-pyrazol-3-one
CID 1186920
4-iodo-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 43835372
(4S)-4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 98544407
(4S)-5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one
CID 27234990
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one;hydrate
CID 19354458
(3S)-4-methyl-3-[(S)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenylmethyl]-1,3-dihydro-1,5-benzodiazepin-2-one
CID 15490438
(4S)-4-[(2-hydroxyphenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124807573
4-(2,2-dimethylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 15787923
5-methyl-2-phenyl-4-prop-2-ynyl-4H-pyrazol-3-one
CID 164681322
(4R)-5-methyl-4-[[(4R)-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-phenylmethyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 98152479

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione (CID 10683508) is 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione is CC1=NN(c2ccccc2)C(=O)C1C1CC(=O)NC1=O.
What is the InChIKey of 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione?
The InChIKey is LXSSDCLNOUVJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-12(10-7-11(18)15-13(10)19)14(20)17(16-8)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,15,18,19).
What are the key properties of 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione?
3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione has a molecular weight of 271.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 10683508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).