2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol

C₈H₁₃FN₂O — CID 84731982

About 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol

2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol (PubChem CID 84731982) has the molecular formula C₈H₁₃FN₂O and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol
• PubChem CID: 84731982
• Molecular Formula: C₈H₁₃FN₂O
• Molecular Weight: 172.20 g/mol
• Exact Mass: 172.10
• IUPAC Name: 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol
• SMILES: CC(C)(F)c1cnn(CCO)c1
• InChI: InChI=1S/C8H13FN2O/c1-8(2,9)7-5-10-11(6-7)3-4-12/h5-6,12H,3-4H2,1-2H3
• InChIKey: POVOHHIQNIHMOV-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.20
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol?

The IUPAC name of 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol (CID 84731982) is 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol is CC(C)(F)c1cnn(CCO)c1.

What is the InChIKey of 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol?

The InChIKey is POVOHHIQNIHMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-8(2,9)7-5-10-11(6-7)3-4-12/h5-6,12H,3-4H2,1-2H3.

What are the key properties of 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol?

2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol has a molecular weight of 172.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 84731982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 84731982 — identifiers, structure, computed properties (public domain)

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