5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one

C16H15N3O — CID 51037216

IUPAC5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESO=c1cc(CCc2ccccc2)[nH]n1-c1ccccn1
InChIInChI=1S/C16H15N3O/c20-16-12-14(10-9-13-6-2-1-3-7-13)18-19(16)15-8-4-5-11-17-15/h1-8,11-12,18H,9-10H2
InChIKeySGXRDFHSVWAEDW-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.35
Rot. Bonds4

About 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one

5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 51037216) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID51037216
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESO=c1cc(CCc2ccccc2)[nH]n1-c1ccccn1
InChIInChI=1S/C16H15N3O/c20-16-12-14(10-9-13-6-2-1-3-7-13)18-19(16)15-8-4-5-11-17-15/h1-8,11-12,18H,9-10H2
InChIKeySGXRDFHSVWAEDW-UHFFFAOYSA-N
XLogP2.35
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one 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 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one (CID 51037216) is 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one is O=c1cc(CCc2ccccc2)[nH]n1-c1ccccn1.
What is the InChIKey of 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is SGXRDFHSVWAEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16-12-14(10-9-13-6-2-1-3-7-13)18-19(16)15-8-4-5-11-17-15/h1-8,11-12,18H,9-10H2.
What are the key properties of 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 265.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 51037216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).