(4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol

C₁₇H₁₉Cl₂FN₂O₅ — CID 142905629

About (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol

(4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 142905629) has the molecular formula C₁₇H₁₉Cl₂FN₂O₅ and a molecular weight of 421.25 g/mol. Its IUPAC name is (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 142905629
• Molecular Formula: C₁₇H₁₉Cl₂FN₂O₅
• Molecular Weight: 421.25 g/mol
• Exact Mass: 420.07
• IUPAC Name: (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
• SMILES: Cc1[nH]nc(OC2OC(CO)C(F)[C@H](O)C2O)c1Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C17H19Cl2FN2O5/c1-7-10(4-8-2-3-9(18)5-11(8)19)16(22-21-7)27-17-15(25)14(24)13(20)12(6-23)26-17/h2-3,5,12-15,17,23-25H,4,6H2,1H3,(H,21,22)/t12?,13?,14-,15?,17?/m0/s1
• InChIKey: WNDCKHFKWNXWAN-DJXCBJAISA-N
• XLogP: 1.77
• TPSA: 107.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.25
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol (CID 142905629) is (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol is Cc1[nH]nc(OC2OC(CO)C(F)[C@H](O)C2O)c1Cc1ccc(Cl)cc1Cl.

What is the InChIKey of (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is WNDCKHFKWNXWAN-DJXCBJAISA-N. The full InChI is InChI=1S/C17H19Cl2FN2O5/c1-7-10(4-8-2-3-9(18)5-11(8)19)16(22-21-7)27-17-15(25)14(24)13(20)12(6-23)26-17/h2-3,5,12-15,17,23-25H,4,6H2,1H3,(H,21,22)/t12?,13?,14-,15?,17?/m0/s1.

What are the key properties of (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?

(4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 421.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 142905629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142905629 — identifiers, structure, computed properties (public domain)

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