2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one

C17H15N3O2 — CID 12669433

IUPAC2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C(=O)c2ccccc2Nc2ccccc2)C(=O)C1
InChIInChI=1S/C17H15N3O2/c1-12-11-16(21)20(19-12)17(22)14-9-5-6-10-15(14)18-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3
InChIKeyWBTDHTKGFLFNOC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.18
Rot. Bonds3

About 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one

2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 12669433) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one
PubChem CID12669433
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C(=O)c2ccccc2Nc2ccccc2)C(=O)C1
InChIInChI=1S/C17H15N3O2/c1-12-11-16(21)20(19-12)17(22)14-9-5-6-10-15(14)18-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3
InChIKeyWBTDHTKGFLFNOC-UHFFFAOYSA-N
XLogP3.18
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.18
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

(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
bis(2-anilinophenyl)methanone
CID 141301141
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 27259352
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinophenyl)methanone;hydrochloride
CID 120656529
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
N-[1-(2-anilinobenzoyl)pyrrolidin-3-yl]acetamide
CID 154864837
2-(4-hydroxyanilino)benzoic acid
CID 11593806
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one (CID 12669433) is 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(C(=O)c2ccccc2Nc2ccccc2)C(=O)C1.
What is the InChIKey of 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is WBTDHTKGFLFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-11-16(21)20(19-12)17(22)14-9-5-6-10-15(14)18-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3.
What are the key properties of 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one?
2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 293.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilinobenzoyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 12669433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).