2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol

C16H13FN2O — CID 936854

IUPAC2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3F)[nH]n2)c1
InChIInChI=1S/C16H13FN2O/c1-10-6-7-16(20)12(8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-9,20H,1H3,(H,18,19)
InChIKeyLJNZETUEEBQTFK-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.90
Rot. Bonds2

About 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol

2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol (PubChem CID 936854) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol
PubChem CID936854
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3F)[nH]n2)c1
InChIInChI=1S/C16H13FN2O/c1-10-6-7-16(20)12(8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-9,20H,1H3,(H,18,19)
InChIKeyLJNZETUEEBQTFK-UHFFFAOYSA-N
XLogP3.90
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol?
The IUPAC name of 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol (CID 936854) is 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol?
The canonical SMILES for 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol is Cc1ccc(O)c(-c2cc(-c3ccccc3F)[nH]n2)c1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol?
The InChIKey is LJNZETUEEBQTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-6-7-16(20)12(8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-9,20H,1H3,(H,18,19).
What are the key properties of 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol?
2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol has a molecular weight of 268.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol is sourced from PubChem (CID 936854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).