2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol

C₁₁H₁₂N₆O — CID 178106018

About 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol

2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol (PubChem CID 178106018) has the molecular formula C₁₁H₁₂N₆O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol
• PubChem CID: 178106018
• Molecular Formula: C₁₁H₁₂N₆O
• Molecular Weight: 244.26 g/mol
• Exact Mass: 244.11
• IUPAC Name: 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol
• SMILES: Cc1ncc2c(-c3ccn(CCO)n3)[nH]nc2n1
• InChI: InChI=1S/C11H12N6O/c1-7-12-6-8-10(14-15-11(8)13-7)9-2-3-17(16-9)4-5-18/h2-3,6,18H,4-5H2,1H3,(H,12,13,14,15)
• InChIKey: BKMHXSLGJNFCQC-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 92.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.26
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol?

The IUPAC name of 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol (CID 178106018) is 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol is Cc1ncc2c(-c3ccn(CCO)n3)[nH]nc2n1.

What is the InChIKey of 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol?

The InChIKey is BKMHXSLGJNFCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7-12-6-8-10(14-15-11(8)13-7)9-2-3-17(16-9)4-5-18/h2-3,6,18H,4-5H2,1H3,(H,12,13,14,15).

What are the key properties of 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol?

2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 244.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 178106018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 178106018 — identifiers, structure, computed properties (public domain)

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