2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide

C20H21FN4O — CID 52906019

IUPAC2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N(C)C)n2)c(F)c1
InChIInChI=1S/C20H21FN4O/c1-14-9-10-18(17(21)11-14)22-19(26)13-25-12-16(20(23-25)24(2)3)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,22,26)
InChIKeyUZZVWTAXQLADQA-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.70
Rot. Bonds5

About 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide

2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 52906019) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID52906019
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N(C)C)n2)c(F)c1
InChIInChI=1S/C20H21FN4O/c1-14-9-10-18(17(21)11-14)22-19(26)13-25-12-16(20(23-25)24(2)3)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,22,26)
InChIKeyUZZVWTAXQLADQA-UHFFFAOYSA-N
XLogP3.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)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-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide (CID 52906019) is 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N(C)C)n2)c(F)c1.
What is the InChIKey of 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is UZZVWTAXQLADQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14-9-10-18(17(21)11-14)22-19(26)13-25-12-16(20(23-25)24(2)3)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,22,26).
What are the key properties of 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide?
2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 352.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-phenylpyrazol-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 52906019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).