2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine

C15H15ClN4O — CID 848994

IUPAC2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1nnc(C)c2c(C)n(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C15H15ClN4O/c1-4-21-15-14-13(9(2)17-18-15)10(3)20(19-14)12-7-5-6-11(16)8-12/h5-8H,4H2,1-3H3
InChIKeyTZWHESQEBMPUFC-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.48
Rot. Bonds3

About 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine

2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 848994) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID848994
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1nnc(C)c2c(C)n(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C15H15ClN4O/c1-4-21-15-14-13(9(2)17-18-15)10(3)20(19-14)12-7-5-6-11(16)8-12/h5-8H,4H2,1-3H3
InChIKeyTZWHESQEBMPUFC-UHFFFAOYSA-N
XLogP3.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 848994) is 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine is CCOc1nnc(C)c2c(C)n(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is TZWHESQEBMPUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-4-21-15-14-13(9(2)17-18-15)10(3)20(19-14)12-7-5-6-11(16)8-12/h5-8H,4H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine?
2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 302.77 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-7-ethoxy-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 848994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).