N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine

C₁₂H₁₇F₂N₃ — CID 154947834

About N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine

N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine (PubChem CID 154947834) has the molecular formula C₁₂H₁₇F₂N₃ and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine.

Molecular Properties

• Compound Name: N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine
• PubChem CID: 154947834
• Molecular Formula: C₁₂H₁₇F₂N₃
• Molecular Weight: 241.28 g/mol
• Exact Mass: 241.14
• IUPAC Name: N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine
• SMILES: C=C(Nc1cn[nH]c1C(F)F)C1CCCCC1
• InChI: InChI=1S/C12H17F2N3/c1-8(9-5-3-2-4-6-9)16-10-7-15-17-11(10)12(13)14/h7,9,12,16H,1-6H2,(H,15,17)
• InChIKey: YXWWIGAJFYEXPQ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 40.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.28
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine?

The IUPAC name of N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine (CID 154947834) is N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine.

What is the SMILES notation for N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine?

The canonical SMILES for N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine is C=C(Nc1cn[nH]c1C(F)F)C1CCCCC1.

What is the InChIKey of N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine?

The InChIKey is YXWWIGAJFYEXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-8(9-5-3-2-4-6-9)16-10-7-15-17-11(10)12(13)14/h7,9,12,16H,1-6H2,(H,15,17).

What are the key properties of N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine?

N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine has a molecular weight of 241.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 154947834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154947834 — identifiers, structure, computed properties (public domain)

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