N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine

C₁₀H₁₈FN₃ — CID 80695640

About N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine

N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine (PubChem CID 80695640) has the molecular formula C₁₀H₁₈FN₃ and a molecular weight of 199.27 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

• Compound Name: N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine
• PubChem CID: 80695640
• Molecular Formula: C₁₀H₁₈FN₃
• Molecular Weight: 199.27 g/mol
• Exact Mass: 199.15
• IUPAC Name: N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine
• SMILES: CCNC(CC)c1cnn(CCF)c1
• InChI: InChI=1S/C10H18FN3/c1-3-10(12-4-2)9-7-13-14(8-9)6-5-11/h7-8,10,12H,3-6H2,1-2H3
• InChIKey: WUCQKJDPFKMIEF-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 29.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.27
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine?

The IUPAC name of N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine (CID 80695640) is N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine.

What is the SMILES notation for N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine?

The canonical SMILES for N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine is CCNC(CC)c1cnn(CCF)c1.

What is the InChIKey of N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine?

The InChIKey is WUCQKJDPFKMIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-3-10(12-4-2)9-7-13-14(8-9)6-5-11/h7-8,10,12H,3-6H2,1-2H3.

What are the key properties of N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine?

N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 80695640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 80695640 — identifiers, structure, computed properties (public domain)

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