3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine

C13H9ClN4 — CID 55113247

IUPAC3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine
SMILESClc1ccc(-n2cc(-c3ccccc3)cn2)nn1
InChIInChI=1S/C13H9ClN4/c14-12-6-7-13(17-16-12)18-9-11(8-15-18)10-4-2-1-3-5-10/h1-9H
InChIKeyOEATWTKZXWENOX-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine

3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine (PubChem CID 55113247) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine
PubChem CID55113247
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine
SMILESClc1ccc(-n2cc(-c3ccccc3)cn2)nn1
InChIInChI=1S/C13H9ClN4/c14-12-6-7-13(17-16-12)18-9-11(8-15-18)10-4-2-1-3-5-10/h1-9H
InChIKeyOEATWTKZXWENOX-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine (CID 55113247) is 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine is Clc1ccc(-n2cc(-c3ccccc3)cn2)nn1.
What is the InChIKey of 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine?
The InChIKey is OEATWTKZXWENOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-12-6-7-13(17-16-12)18-9-11(8-15-18)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine?
3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 55113247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).