4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

C19H15BrN4 — CID 1214670

IUPAC4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3c(-c4cccc(Br)c4)nnc(C)c3n2)cc1
InChIInChI=1S/C19H15BrN4/c1-12-6-8-16(9-7-12)24-11-17-18(23-24)13(2)21-22-19(17)14-4-3-5-15(20)10-14/h3-11H,1-2H3
InChIKeyNUKHSIDVEMUYCP-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.86
Rot. Bonds2

About 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (PubChem CID 1214670) has the molecular formula C19H15BrN4 and a molecular weight of 379.26 g/mol. Its IUPAC name is 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
PubChem CID1214670
Molecular FormulaC19H15BrN4
Molecular Weight379.26 g/mol
Exact Mass378.05
IUPAC Name4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3c(-c4cccc(Br)c4)nnc(C)c3n2)cc1
InChIInChI=1S/C19H15BrN4/c1-12-6-8-16(9-7-12)24-11-17-18(23-24)13(2)21-22-19(17)14-4-3-5-15(20)10-14/h3-11H,1-2H3
InChIKeyNUKHSIDVEMUYCP-UHFFFAOYSA-N
XLogP4.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (CID 1214670) is 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is Cc1ccc(-n2cc3c(-c4cccc(Br)c4)nnc(C)c3n2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The InChIKey is NUKHSIDVEMUYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4/c1-12-6-8-16(9-7-12)24-11-17-18(23-24)13(2)21-22-19(17)14-4-3-5-15(20)10-14/h3-11H,1-2H3.
What are the key properties of 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine has a molecular weight of 379.26 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 1214670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).