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

C16H16N4O — CID 127038926

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine
SMILESCOc1ccc(-c2ccc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C16H16N4O/c1-11-10-12(2)20(19-11)16-9-8-15(17-18-16)13-4-6-14(21-3)7-5-13/h4-10H,1-3H3
InChIKeySTWCADKYBUYKSR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.95
Rot. Bonds3

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

3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine (PubChem CID 127038926) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine
PubChem CID127038926
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine
SMILESCOc1ccc(-c2ccc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C16H16N4O/c1-11-10-12(2)20(19-11)16-9-8-15(17-18-16)13-4-6-14(21-3)7-5-13/h4-10H,1-3H3
InChIKeySTWCADKYBUYKSR-UHFFFAOYSA-N
XLogP2.95
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine 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 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine (CID 127038926) is 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine is COc1ccc(-c2ccc(-n3nc(C)cc3C)nn2)cc1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine?
The InChIKey is STWCADKYBUYKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-10-12(2)20(19-11)16-9-8-15(17-18-16)13-4-6-14(21-3)7-5-13/h4-10H,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine has a molecular weight of 280.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine is sourced from PubChem (CID 127038926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).