1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone

C17H17N3O2 — CID 2877858

IUPAC1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone
SMILESCC1=NN(C(=O)Cc2ccccc2)C(O)(c2cccnc2)C1
InChIInChI=1S/C17H17N3O2/c1-13-11-17(22,15-8-5-9-18-12-15)20(19-13)16(21)10-14-6-3-2-4-7-14/h2-9,12,22H,10-11H2,1H3
InChIKeyBNYMYTOVTKMCRP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.08
Rot. Bonds3

About 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone

1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone (PubChem CID 2877858) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone
PubChem CID2877858
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone
SMILESCC1=NN(C(=O)Cc2ccccc2)C(O)(c2cccnc2)C1
InChIInChI=1S/C17H17N3O2/c1-13-11-17(22,15-8-5-9-18-12-15)20(19-13)16(21)10-14-6-3-2-4-7-14/h2-9,12,22H,10-11H2,1H3
InChIKeyBNYMYTOVTKMCRP-UHFFFAOYSA-N
XLogP2.08
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone (CID 2877858) is 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone is CC1=NN(C(=O)Cc2ccccc2)C(O)(c2cccnc2)C1.
What is the InChIKey of 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone?
The InChIKey is BNYMYTOVTKMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13-11-17(22,15-8-5-9-18-12-15)20(19-13)16(21)10-14-6-3-2-4-7-14/h2-9,12,22H,10-11H2,1H3.
What are the key properties of 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone?
1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone has a molecular weight of 295.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone is sourced from PubChem (CID 2877858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).