7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine

C₉H₅F₂N₃ — CID 141155969

About 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine

7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine (PubChem CID 141155969) has the molecular formula C₉H₅F₂N₃ and a molecular weight of 193.16 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine
• PubChem CID: 141155969
• Molecular Formula: C₉H₅F₂N₃
• Molecular Weight: 193.16 g/mol
• Exact Mass: 193.05
• IUPAC Name: 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine
• SMILES: C#Cc1cc2nccc(C(F)F)n2n1
• InChI: InChI=1S/C9H5F2N3/c1-2-6-5-8-12-4-3-7(9(10)11)14(8)13-6/h1,3-5,9H
• InChIKey: GMWHUAIRWSZZHE-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.16
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine?

The IUPAC name of 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine (CID 141155969) is 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine is C#Cc1cc2nccc(C(F)F)n2n1.

What is the InChIKey of 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine?

The InChIKey is GMWHUAIRWSZZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3/c1-2-6-5-8-12-4-3-7(9(10)11)14(8)13-6/h1,3-5,9H.

What are the key properties of 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine?

7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine has a molecular weight of 193.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-2-ethynylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141155969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141155969 — identifiers, structure, computed properties (public domain)

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