(4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone

C16H11FN2O2 — CID 659733

IUPAC(4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C16H11FN2O2/c17-11-7-5-10(6-8-11)16(21)13-9-18-19-15(13)12-3-1-2-4-14(12)20/h1-9,20H,(H,18,19)
InChIKeyCSZLCJQXYHTYFM-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.15
Rot. Bonds3

About (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone

(4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 659733) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
PubChem CID659733
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name(4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C16H11FN2O2/c17-11-7-5-10(6-8-11)16(21)13-9-18-19-15(13)12-3-1-2-4-14(12)20/h1-9,20H,(H,18,19)
InChIKeyCSZLCJQXYHTYFM-UHFFFAOYSA-N
XLogP3.15
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone (CID 659733) is (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone is O=C(c1ccc(F)cc1)c1cn[nH]c1-c1ccccc1O.
What is the InChIKey of (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is CSZLCJQXYHTYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-11-7-5-10(6-8-11)16(21)13-9-18-19-15(13)12-3-1-2-4-14(12)20/h1-9,20H,(H,18,19).
What are the key properties of (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone?
(4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 282.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 659733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).