3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one

C19H13FN4O — CID 135890958

IUPAC3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2c(-c3cccc(F)c3)n[nH]c2-c2ccccc2)n[nH]1
InChIInChI=1S/C19H13FN4O/c20-14-8-4-7-13(11-14)19-17(15-9-10-16(25)22-21-15)18(23-24-19)12-5-2-1-3-6-12/h1-11H,(H,22,25)(H,23,24)
InChIKeyHHIUFSBFIVIHQM-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.63
Rot. Bonds3

About 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one

3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one (PubChem CID 135890958) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one
PubChem CID135890958
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2c(-c3cccc(F)c3)n[nH]c2-c2ccccc2)n[nH]1
InChIInChI=1S/C19H13FN4O/c20-14-8-4-7-13(11-14)19-17(15-9-10-16(25)22-21-15)18(23-24-19)12-5-2-1-3-6-12/h1-11H,(H,22,25)(H,23,24)
InChIKeyHHIUFSBFIVIHQM-UHFFFAOYSA-N
XLogP3.63
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one (CID 135890958) is 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one is O=c1ccc(-c2c(-c3cccc(F)c3)n[nH]c2-c2ccccc2)n[nH]1.
What is the InChIKey of 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one?
The InChIKey is HHIUFSBFIVIHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-14-8-4-7-13(11-14)19-17(15-9-10-16(25)22-21-15)18(23-24-19)12-5-2-1-3-6-12/h1-11H,(H,22,25)(H,23,24).
What are the key properties of 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one?
3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one has a molecular weight of 332.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 135890958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).