3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

C₁₄H₁₄N₄O₂S — CID 53324896

About 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 53324896) has the molecular formula C₁₄H₁₄N₄O₂S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 53324896
• Molecular Formula: C₁₄H₁₄N₄O₂S
• Molecular Weight: 302.36 g/mol
• Exact Mass: 302.08
• IUPAC Name: 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
• SMILES: CNc1nn2ccc(C)nc2c1S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C14H14N4O2S/c1-10-8-9-18-14(16-10)12(13(15-2)17-18)21(19,20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17)
• InChIKey: LLRSKWJLJFTWMG-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.36
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 53324896) is 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2ccc(C)nc2c1S(=O)(=O)c1ccccc1.

What is the InChIKey of 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is LLRSKWJLJFTWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-8-9-18-14(16-10)12(13(15-2)17-18)21(19,20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17).

What are the key properties of 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?

3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 302.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 53324896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 53324896 — identifiers, structure, computed properties (public domain)

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