[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone

C₁₅H₁₀F₂N₄O — CID 141433536

About [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone

[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone (PubChem CID 141433536) has the molecular formula C₁₅H₁₀F₂N₄O and a molecular weight of 300.27 g/mol. Its IUPAC name is [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

• Compound Name: [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone
• PubChem CID: 141433536
• Molecular Formula: C₁₅H₁₀F₂N₄O
• Molecular Weight: 300.27 g/mol
• Exact Mass: 300.08
• IUPAC Name: [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone
• SMILES: O=C(c1cncnc1)c1ccn(Cc2cc(F)ccc2F)n1
• InChI: InChI=1S/C15H10F2N4O/c16-12-1-2-13(17)10(5-12)8-21-4-3-14(20-21)15(22)11-6-18-9-19-7-11/h1-7,9H,8H2
• InChIKey: YKURLAKTNKEBCL-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 60.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.27
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone?

The IUPAC name of [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone (CID 141433536) is [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone.

What is the SMILES notation for [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone?

The canonical SMILES for [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone is O=C(c1cncnc1)c1ccn(Cc2cc(F)ccc2F)n1.

What is the InChIKey of [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone?

The InChIKey is YKURLAKTNKEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-12-1-2-13(17)10(5-12)8-21-4-3-14(20-21)15(22)11-6-18-9-19-7-11/h1-7,9H,8H2.

What are the key properties of [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone?

[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone has a molecular weight of 300.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 141433536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141433536 — identifiers, structure, computed properties (public domain)

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