2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol

C19H19FN2O2 — CID 67818565

IUPAC2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol
SMILESCCC(O)(c1cc(F)cc(O)c1Cc1ccccc1)n1cccn1
InChIInChI=1S/C19H19FN2O2/c1-2-19(24,22-10-6-9-21-22)17-12-15(20)13-18(23)16(17)11-14-7-4-3-5-8-14/h3-10,12-13,23-24H,2,11H2,1H3
InChIKeyUEPXLVLGVUWQSM-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.42
Rot. Bonds5

About 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol

2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol (PubChem CID 67818565) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol.

Molecular Properties

Compound Name2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol
PubChem CID67818565
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol
SMILESCCC(O)(c1cc(F)cc(O)c1Cc1ccccc1)n1cccn1
InChIInChI=1S/C19H19FN2O2/c1-2-19(24,22-10-6-9-21-22)17-12-15(20)13-18(23)16(17)11-14-7-4-3-5-8-14/h3-10,12-13,23-24H,2,11H2,1H3
InChIKeyUEPXLVLGVUWQSM-UHFFFAOYSA-N
XLogP3.42
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol?
The IUPAC name of 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol (CID 67818565) is 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol.
What is the SMILES notation for 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol?
The canonical SMILES for 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol is CCC(O)(c1cc(F)cc(O)c1Cc1ccccc1)n1cccn1.
What is the InChIKey of 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol?
The InChIKey is UEPXLVLGVUWQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-2-19(24,22-10-6-9-21-22)17-12-15(20)13-18(23)16(17)11-14-7-4-3-5-8-14/h3-10,12-13,23-24H,2,11H2,1H3.
What are the key properties of 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol?
2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol has a molecular weight of 326.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-fluoro-3-(1-hydroxy-1-pyrazol-1-ylpropyl)phenol is sourced from PubChem (CID 67818565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).