2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide

C15H20N4O — CID 119741052

IUPAC2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)cc1C(C)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-10(14-9-19(3)18-11(14)2)17-15(20)8-12-4-6-13(16)7-5-12/h4-7,9-10H,8,16H2,1-3H3,(H,17,20)
InChIKeyWDAUZFQYVWIVSS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide

2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 119741052) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID119741052
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)cc1C(C)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-10(14-9-19(3)18-11(14)2)17-15(20)8-12-4-6-13(16)7-5-12/h4-7,9-10H,8,16H2,1-3H3,(H,17,20)
InChIKeyWDAUZFQYVWIVSS-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)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-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide (CID 119741052) is 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(C)cc1C(C)NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is WDAUZFQYVWIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(14-9-19(3)18-11(14)2)17-15(20)8-12-4-6-13(16)7-5-12/h4-7,9-10H,8,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 119741052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).