3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine

C15H13ClN4 — CID 127038924

IUPAC3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(-c3ccc(Cl)cc3)nn2)n1
InChIInChI=1S/C15H13ClN4/c1-10-9-11(2)20(19-10)15-8-7-14(17-18-15)12-3-5-13(16)6-4-12/h3-9H,1-2H3
InChIKeyDJBUCMQPADJSPF-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.60
Rot. Bonds2

About 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine

3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 127038924) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
PubChem CID127038924
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(-c3ccc(Cl)cc3)nn2)n1
InChIInChI=1S/C15H13ClN4/c1-10-9-11(2)20(19-10)15-8-7-14(17-18-15)12-3-5-13(16)6-4-12/h3-9H,1-2H3
InChIKeyDJBUCMQPADJSPF-UHFFFAOYSA-N
XLogP3.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine (CID 127038924) is 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine is Cc1cc(C)n(-c2ccc(-c3ccc(Cl)cc3)nn2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The InChIKey is DJBUCMQPADJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-10-9-11(2)20(19-10)15-8-7-14(17-18-15)12-3-5-13(16)6-4-12/h3-9H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 284.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 127038924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).