2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine

C18H14N4 — CID 2396814

IUPAC2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3cnnc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N4/c1-13-7-9-16(10-8-13)22-12-15-11-19-20-17(18(15)21-22)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyVWVGOVJJJILYSE-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.79
Rot. Bonds2

About 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine

2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine (PubChem CID 2396814) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine
PubChem CID2396814
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3cnnc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N4/c1-13-7-9-16(10-8-13)22-12-15-11-19-20-17(18(15)21-22)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyVWVGOVJJJILYSE-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine (CID 2396814) is 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine is Cc1ccc(-n2cc3cnnc(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine?
The InChIKey is VWVGOVJJJILYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-7-9-16(10-8-13)22-12-15-11-19-20-17(18(15)21-22)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine?
2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine has a molecular weight of 286.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 2396814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).