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

C18H11ClFN5O — CID 46872141

IUPAC1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one
SMILESO=c1ccn(-c2ccnc(Cl)c2)nc1-c1ccnn1-c1ccccc1F
InChIInChI=1S/C18H11ClFN5O/c19-17-11-12(5-8-21-17)24-10-7-16(26)18(23-24)15-6-9-22-25(15)14-4-2-1-3-13(14)20/h1-11H
InChIKeyRQPRAFPUNPJGPX-UHFFFAOYSA-N
MW367.77 g/mol
LogP3.27
Rot. Bonds3

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

1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one (PubChem CID 46872141) has the molecular formula C18H11ClFN5O and a molecular weight of 367.77 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one
PubChem CID46872141
Molecular FormulaC18H11ClFN5O
Molecular Weight367.77 g/mol
Exact Mass367.06
IUPAC Name1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one
SMILESO=c1ccn(-c2ccnc(Cl)c2)nc1-c1ccnn1-c1ccccc1F
InChIInChI=1S/C18H11ClFN5O/c19-17-11-12(5-8-21-17)24-10-7-16(26)18(23-24)15-6-9-22-25(15)14-4-2-1-3-13(14)20/h1-11H
InChIKeyRQPRAFPUNPJGPX-UHFFFAOYSA-N
XLogP3.27
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one (CID 46872141) is 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one is O=c1ccn(-c2ccnc(Cl)c2)nc1-c1ccnn1-c1ccccc1F.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one?
The InChIKey is RQPRAFPUNPJGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O/c19-17-11-12(5-8-21-17)24-10-7-16(26)18(23-24)15-6-9-22-25(15)14-4-2-1-3-13(14)20/h1-11H.
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one?
1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one has a molecular weight of 367.77 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-[2-(2-fluorophenyl)pyrazol-3-yl]pyridazin-4-one is sourced from PubChem (CID 46872141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).