N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide

C20H20FN3O2 — CID 7433994

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)COc3ccccc3F)c2C)cc1
InChIInChI=1S/C20H20FN3O2/c1-13-8-10-16(11-9-13)24-15(3)20(14(2)23-24)22-19(25)12-26-18-7-5-4-6-17(18)21/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyOXRJLWXKTNECEN-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.95
Rot. Bonds5

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 7433994) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID7433994
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)COc3ccccc3F)c2C)cc1
InChIInChI=1S/C20H20FN3O2/c1-13-8-10-16(11-9-13)24-15(3)20(14(2)23-24)22-19(25)12-26-18-7-5-4-6-17(18)21/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyOXRJLWXKTNECEN-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)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 N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide (CID 7433994) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide is Cc1ccc(-n2nc(C)c(NC(=O)COc3ccccc3F)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is OXRJLWXKTNECEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-8-10-16(11-9-13)24-15(3)20(14(2)23-24)22-19(25)12-26-18-7-5-4-6-17(18)21/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 7433994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).