2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C13H16N4O — CID 35335313

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccn2)n1
InChIInChI=1S/C13H16N4O/c1-10-7-11(2)17(16-10)9-13(18)15-8-12-5-3-4-6-14-12/h3-7H,8-9H2,1-2H3,(H,15,18)
InChIKeyYAIDZUCUAHLHQL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.21
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 35335313) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID35335313
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccn2)n1
InChIInChI=1S/C13H16N4O/c1-10-7-11(2)17(16-10)9-13(18)15-8-12-5-3-4-6-14-12/h3-7H,8-9H2,1-2H3,(H,15,18)
InChIKeyYAIDZUCUAHLHQL-UHFFFAOYSA-N
XLogP1.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)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-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 35335313) is 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(C)n(CC(=O)NCc2ccccn2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is YAIDZUCUAHLHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-7-11(2)17(16-10)9-13(18)15-8-12-5-3-4-6-14-12/h3-7H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 35335313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).