2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide

C16H21N3O2 — CID 99829231

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2c(C)n[nH]c2C)c(C)c(C)c1O
InChIInChI=1S/C16H21N3O2/c1-8-6-14(9(2)10(3)16(8)21)17-15(20)7-13-11(4)18-19-12(13)5/h6,21H,7H2,1-5H3,(H,17,20)(H,18,19)
InChIKeySFIYXABLJAXGKN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.84
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide (PubChem CID 99829231) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide
PubChem CID99829231
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2c(C)n[nH]c2C)c(C)c(C)c1O
InChIInChI=1S/C16H21N3O2/c1-8-6-14(9(2)10(3)16(8)21)17-15(20)7-13-11(4)18-19-12(13)5/h6,21H,7H2,1-5H3,(H,17,20)(H,18,19)
InChIKeySFIYXABLJAXGKN-UHFFFAOYSA-N
XLogP2.84
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)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-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide (CID 99829231) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide is Cc1cc(NC(=O)Cc2c(C)n[nH]c2C)c(C)c(C)c1O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide?
The InChIKey is SFIYXABLJAXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-8-6-14(9(2)10(3)16(8)21)17-15(20)7-13-11(4)18-19-12(13)5/h6,21H,7H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide is sourced from PubChem (CID 99829231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).