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

C19H14FN5O — CID 70226809

IUPAC3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one
SMILESNc1cccc(-n2nccc2-c2nn(-c3cccc(F)c3)ccc2=O)c1
InChIInChI=1S/C19H14FN5O/c20-13-3-1-5-15(11-13)24-10-8-18(26)19(23-24)17-7-9-22-25(17)16-6-2-4-14(21)12-16/h1-12H,21H2
InChIKeyWEBZDQCWELUTHK-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.81
Rot. Bonds3

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

3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one (PubChem CID 70226809) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one
PubChem CID70226809
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one
SMILESNc1cccc(-n2nccc2-c2nn(-c3cccc(F)c3)ccc2=O)c1
InChIInChI=1S/C19H14FN5O/c20-13-3-1-5-15(11-13)24-10-8-18(26)19(23-24)17-7-9-22-25(17)16-6-2-4-14(21)12-16/h1-12H,21H2
InChIKeyWEBZDQCWELUTHK-UHFFFAOYSA-N
XLogP2.81
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one?
The IUPAC name of 3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one (CID 70226809) is 3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one.
What is the SMILES notation for 3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one?
The canonical SMILES for 3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one is Nc1cccc(-n2nccc2-c2nn(-c3cccc(F)c3)ccc2=O)c1.
What is the InChIKey of 3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one?
The InChIKey is WEBZDQCWELUTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-13-3-1-5-15(11-13)24-10-8-18(26)19(23-24)17-7-9-22-25(17)16-6-2-4-14(21)12-16/h1-12H,21H2.
What are the key properties of 3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one?
3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one has a molecular weight of 347.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one is sourced from PubChem (CID 70226809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).