4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one

C15H20N2O — CID 55167339

IUPAC4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
SMILESCCC1C(=O)N(CCCc2ccccc2)N=C1C
InChIInChI=1S/C15H20N2O/c1-3-14-12(2)16-17(15(14)18)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyQGLCUFWDUONHIU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.86
Rot. Bonds5

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

4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one (PubChem CID 55167339) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
PubChem CID55167339
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
SMILESCCC1C(=O)N(CCCc2ccccc2)N=C1C
InChIInChI=1S/C15H20N2O/c1-3-14-12(2)16-17(15(14)18)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyQGLCUFWDUONHIU-UHFFFAOYSA-N
XLogP2.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-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 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one?
The IUPAC name of 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one (CID 55167339) is 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one.
What is the SMILES notation for 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one?
The canonical SMILES for 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one is CCC1C(=O)N(CCCc2ccccc2)N=C1C.
What is the InChIKey of 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one?
The InChIKey is QGLCUFWDUONHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-14-12(2)16-17(15(14)18)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one?
4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one has a molecular weight of 244.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one is sourced from PubChem (CID 55167339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).