N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide

C17H17N3O — CID 20885236

IUPACN-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide
SMILESCc1ccc(C)c(NC(=O)Cn2ncc3ccccc32)c1
InChIInChI=1S/C17H17N3O/c1-12-7-8-13(2)15(9-12)19-17(21)11-20-16-6-4-3-5-14(16)10-18-20/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyPFHILWUVXDZKNL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.29
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide

N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide (PubChem CID 20885236) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide
PubChem CID20885236
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide
SMILESCc1ccc(C)c(NC(=O)Cn2ncc3ccccc32)c1
InChIInChI=1S/C17H17N3O/c1-12-7-8-13(2)15(9-12)19-17(21)11-20-16-6-4-3-5-14(16)10-18-20/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyPFHILWUVXDZKNL-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide 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-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide (CID 20885236) is N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide is Cc1ccc(C)c(NC(=O)Cn2ncc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide?
The InChIKey is PFHILWUVXDZKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-8-13(2)15(9-12)19-17(21)11-20-16-6-4-3-5-14(16)10-18-20/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide?
N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide has a molecular weight of 279.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 20885236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).