1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine

C₇H₁₁F₂N₃ — CID 169166896

About 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine

1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine (PubChem CID 169166896) has the molecular formula C₇H₁₁F₂N₃ and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine.

Molecular Properties

• Compound Name: 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine
• PubChem CID: 169166896
• Molecular Formula: C₇H₁₁F₂N₃
• Molecular Weight: 175.18 g/mol
• Exact Mass: 175.09
• IUPAC Name: 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine
• SMILES: CC(C)c1cc(N)nn1C(F)F
• InChI: InChI=1S/C7H11F2N3/c1-4(2)5-3-6(10)11-12(5)7(8)9/h3-4,7H,1-2H3,(H2,10,11)
• InChIKey: QLNVCGJROWNLDH-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 43.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.18
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine?

The IUPAC name of 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine (CID 169166896) is 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine.

What is the SMILES notation for 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine?

The canonical SMILES for 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine is CC(C)c1cc(N)nn1C(F)F.

What is the InChIKey of 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine?

The InChIKey is QLNVCGJROWNLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-4(2)5-3-6(10)11-12(5)7(8)9/h3-4,7H,1-2H3,(H2,10,11).

What are the key properties of 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine?

1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine has a molecular weight of 175.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 169166896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169166896 — identifiers, structure, computed properties (public domain)

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