5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one

C17H15N3O2 — CID 159568575

IUPAC5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1C(=O)Cc1ccccn1
InChIInChI=1S/C17H15N3O2/c1-12-16(15(21)11-13-7-5-6-10-18-13)17(22)20(19-12)14-8-3-2-4-9-14/h2-10,16H,11H2,1H3
InChIKeyMHNDELJIWZOPPM-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.23
Rot. Bonds4

About 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one

5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one (PubChem CID 159568575) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one
PubChem CID159568575
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1C(=O)Cc1ccccn1
InChIInChI=1S/C17H15N3O2/c1-12-16(15(21)11-13-7-5-6-10-18-13)17(22)20(19-12)14-8-3-2-4-9-14/h2-10,16H,11H2,1H3
InChIKeyMHNDELJIWZOPPM-UHFFFAOYSA-N
XLogP2.23
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577603
(4R)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577604
5-methyl-4-octanoyl-2-phenyl-4H-pyrazol-3-one
CID 4166075
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one;hydrate
CID 19354458
4-(2,2-dimethylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 15787923
3-methyl-5-oxo-1-phenyl-N-pyridin-4-yl-4H-pyrazole-4-carboxamide
CID 139433268
N-benzyl-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 71939648
(4S)-5-methyl-2-phenyl-4-(4-phenylbenzoyl)-4H-pyrazol-3-one
CID 1380485
4-acetyl-2-phenyl-5-pyridin-2-yl-4H-pyrazol-3-one
CID 177256284
4-ethanimidoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 11020275
N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide
CID 98131505
CID 88907622
CID 88907622

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one (CID 159568575) is 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)C1C(=O)Cc1ccccn1.
What is the InChIKey of 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one?
The InChIKey is MHNDELJIWZOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-16(15(21)11-13-7-5-6-10-18-13)17(22)20(19-12)14-8-3-2-4-9-14/h2-10,16H,11H2,1H3.
What are the key properties of 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one?
5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one has a molecular weight of 293.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-(2-pyridin-2-ylacetyl)-4H-pyrazol-3-one is sourced from PubChem (CID 159568575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).