3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one

C19H13FN4O2 — CID 59370102

IUPAC3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one
SMILESO=c1ccn(-c2cccc(O)c2)nc1-c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2/c20-13-4-6-14(7-5-13)24-17(8-10-21-24)19-18(26)9-11-23(22-19)15-2-1-3-16(25)12-15/h1-12,25H
InChIKeyOXPIJHPYHIJOBF-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.93
Rot. Bonds3

About 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one

3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one (PubChem CID 59370102) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one
PubChem CID59370102
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one
SMILESO=c1ccn(-c2cccc(O)c2)nc1-c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2/c20-13-4-6-14(7-5-13)24-17(8-10-21-24)19-18(26)9-11-23(22-19)15-2-1-3-16(25)12-15/h1-12,25H
InChIKeyOXPIJHPYHIJOBF-UHFFFAOYSA-N
XLogP2.93
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one?
The IUPAC name of 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one (CID 59370102) is 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one is O=c1ccn(-c2cccc(O)c2)nc1-c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one?
The InChIKey is OXPIJHPYHIJOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-13-4-6-14(7-5-13)24-17(8-10-21-24)19-18(26)9-11-23(22-19)15-2-1-3-16(25)12-15/h1-12,25H.
What are the key properties of 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one?
3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one has a molecular weight of 348.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one is sourced from PubChem (CID 59370102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).