[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol

C₁₆H₁₀Cl₂F₂N₂O — CID 118484799

About [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol

[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol (PubChem CID 118484799) has the molecular formula C₁₆H₁₀Cl₂F₂N₂O and a molecular weight of 355.17 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol.

Molecular Properties

• Compound Name: [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
• PubChem CID: 118484799
• Molecular Formula: C₁₆H₁₀Cl₂F₂N₂O
• Molecular Weight: 355.17 g/mol
• Exact Mass: 354.01
• IUPAC Name: [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
• SMILES: OC(c1cc(F)cc(F)c1)c1cn[nH]c1-c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C16H10Cl2F2N2O/c17-10-1-8(2-11(18)5-10)15-14(7-21-22-15)16(23)9-3-12(19)6-13(20)4-9/h1-7,16,23H,(H,21,22)
• InChIKey: DCPUDBPFGLCJTQ-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 48.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.17
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol?

The IUPAC name of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol (CID 118484799) is [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol.

What is the SMILES notation for [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol?

The canonical SMILES for [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol is OC(c1cc(F)cc(F)c1)c1cn[nH]c1-c1cc(Cl)cc(Cl)c1.

What is the InChIKey of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol?

The InChIKey is DCPUDBPFGLCJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N2O/c17-10-1-8(2-11(18)5-10)15-14(7-21-22-15)16(23)9-3-12(19)6-13(20)4-9/h1-7,16,23H,(H,21,22).

What are the key properties of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol?

[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol has a molecular weight of 355.17 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 118484799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118484799 — identifiers, structure, computed properties (public domain)

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