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

C19H15BrN4O — CID 1214672

IUPAC4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-n2cc3c(-c4cccc(Br)c4)nnc(C)c3n2)cc1
InChIInChI=1S/C19H15BrN4O/c1-12-18-17(19(22-21-12)13-4-3-5-14(20)10-13)11-24(23-18)15-6-8-16(25-2)9-7-15/h3-11H,1-2H3
InChIKeyTZZBUGIBARZTFY-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.56
Rot. Bonds3

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

4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine (PubChem CID 1214672) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
PubChem CID1214672
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
SMILESCOc1ccc(-n2cc3c(-c4cccc(Br)c4)nnc(C)c3n2)cc1
InChIInChI=1S/C19H15BrN4O/c1-12-18-17(19(22-21-12)13-4-3-5-14(20)10-13)11-24(23-18)15-6-8-16(25-2)9-7-15/h3-11H,1-2H3
InChIKeyTZZBUGIBARZTFY-UHFFFAOYSA-N
XLogP4.56
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10435405, Example 116
CID 134328114
1,5-Diphenyl-4-((4-methoxyphenyl)azo)-1H-pyrazole
CID 218456
3-(5-Bromo-2-methoxyphenyl)-1-phenylpyrazole
CID 155516819
5-Fluoro-2-(4-methoxyphenyl)indazole
CID 135057108
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-methoxyaniline
CID 1180841
2-(4-methoxyphenyl)-2H-indazole
CID 1214777
2-(4-Methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyrazolo[3,4-d]pyridazine
CID 1214658
2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 3392313
4-(4-Methoxyphenyl)-7-methyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazine
CID 42600928
2-(4-Methoxy-phenyl)-7-phenyl-2H-pyrazolo[3,4-d]pyridazine
CID 2398112
5-(2-Bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole
CID 44632830
1-(4-Methoxyphenyl)-2-phenylpyrrolo[3,2-b]pyridine
CID 135061328

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine (CID 1214672) is 4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine is COc1ccc(-n2cc3c(-c4cccc(Br)c4)nnc(C)c3n2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine?
The InChIKey is TZZBUGIBARZTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-12-18-17(19(22-21-12)13-4-3-5-14(20)10-13)11-24(23-18)15-6-8-16(25-2)9-7-15/h3-11H,1-2H3.
What are the key properties of 4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine?
4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine has a molecular weight of 395.26 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 1214672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).