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

C18H13BrN4 — CID 1214667

IUPAC4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2cccc(Br)c2)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H13BrN4/c1-12-17-16(11-23(22-17)15-8-3-2-4-9-15)18(21-20-12)13-6-5-7-14(19)10-13/h2-11H,1H3
InChIKeyJLOBHBFPMZARDU-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.55
Rot. Bonds2

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

4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine (PubChem CID 1214667) has the molecular formula C18H13BrN4 and a molecular weight of 365.23 g/mol. Its IUPAC name is 4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine
PubChem CID1214667
Molecular FormulaC18H13BrN4
Molecular Weight365.23 g/mol
Exact Mass364.03
IUPAC Name4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2cccc(Br)c2)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H13BrN4/c1-12-17-16(11-23(22-17)15-8-3-2-4-9-15)18(21-20-12)13-6-5-7-14(19)10-13/h2-11H,1H3
InChIKeyJLOBHBFPMZARDU-UHFFFAOYSA-N
XLogP4.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Phenyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504998
4-(3-Bromophenyl)-2-(4-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 1214668
4-(3-Bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
CID 1214670
4-(3-bromophenyl)-2-(2-chlorophenyl)-7-methyl-2H-pyrazolo[3,4-d]pyridazine
CID 1214671
(5-Bromo-indol-1-yl)-methyl-pyridin-4-yl-amine
CID 10542372
(5-Bromo-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10711464
US20230339900, Example 153
CID 162761020
1-[(1-Methyltriazol-4-yl)methyl]-3-phenylindazole
CID 73504350
1-[(3-Bromo-2-pyridinyl)methyl]-3-phenylindazole
CID 73504781
3-Phenyl-1-(pyridin-2-ylmethyl)indazole
CID 73504782
2,4-Bis(3-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 1214669
3-(7-Methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1,5-diphenylpyrazole-4-carbonitrile
CID 50908387

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine (CID 1214667) is 4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine is Cc1nnc(-c2cccc(Br)c2)c2cn(-c3ccccc3)nc12.
What is the InChIKey of 4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine?
The InChIKey is JLOBHBFPMZARDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4/c1-12-17-16(11-23(22-17)15-8-3-2-4-9-15)18(21-20-12)13-6-5-7-14(19)10-13/h2-11H,1H3.
What are the key properties of 4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine?
4-(3-bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine has a molecular weight of 365.23 g/mol, XLogP of 4.55, 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-phenylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 1214667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).