2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide

C20H21N3O2 — CID 75436734

IUPAC2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide
SMILESCN1N=C(CC(=O)NCCc2cccc(-c3ccccc3)c2)CC1=O
InChIInChI=1S/C20H21N3O2/c1-23-20(25)14-18(22-23)13-19(24)21-11-10-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)
InChIKeyMKSCIWVNLDSPEN-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.62
Rot. Bonds6

About 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide

2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide (PubChem CID 75436734) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide
PubChem CID75436734
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide
SMILESCN1N=C(CC(=O)NCCc2cccc(-c3ccccc3)c2)CC1=O
InChIInChI=1S/C20H21N3O2/c1-23-20(25)14-18(22-23)13-19(24)21-11-10-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)
InChIKeyMKSCIWVNLDSPEN-UHFFFAOYSA-N
XLogP2.62
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide 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 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide (CID 75436734) is 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide is CN1N=C(CC(=O)NCCc2cccc(-c3ccccc3)c2)CC1=O.
What is the InChIKey of 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide?
The InChIKey is MKSCIWVNLDSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23-20(25)14-18(22-23)13-19(24)21-11-10-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24).
What are the key properties of 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide?
2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-[2-(3-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 75436734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).