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

C18H14N4O — CID 2398112

IUPAC2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-n2cc3cnnc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N4O/c1-23-16-9-7-15(8-10-16)22-12-14-11-19-20-17(18(14)21-22)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyYGBBKAOOVSVPSZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.49
Rot. Bonds3

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

2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine (PubChem CID 2398112) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine
PubChem CID2398112
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-n2cc3cnnc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N4O/c1-23-16-9-7-15(8-10-16)22-12-14-11-19-20-17(18(14)21-22)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyYGBBKAOOVSVPSZ-UHFFFAOYSA-N
XLogP3.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine (CID 2398112) is 2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine is COc1ccc(-n2cc3cnnc(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine?
The InChIKey is YGBBKAOOVSVPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-16-9-7-15(8-10-16)22-12-14-11-19-20-17(18(14)21-22)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine?
2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine has a molecular weight of 302.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-phenylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 2398112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).