3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

Name: 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₈BrFN₄O — CID 163289155

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

SMILESCc1cccc(F)c1-n1nc2c(Br)n[nH]c2cc1=O

InChIInChI=1S/C12H8BrFN4O/c1-6-3-2-4-7(14)11(6)18-9(19)5-8-10(17-18)12(13)16-15-8/h2-5,15H,1H3

InChIKeyKSCHBPYRKVKHOK-UHFFFAOYSA-N

MW323.13 g/mol

LogP2.32

Rot. Bonds1

About 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163289155) has the molecular formula C₁₂H₈BrFN₄O and a molecular weight of 323.13 g/mol. Its IUPAC name is 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name	3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID	163289155
Molecular Formula	C₁₂H₈BrFN₄O
Molecular Weight	323.13 g/mol
Exact Mass	321.99
IUPAC Name	3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILES	Cc1cccc(F)c1-n1nc2c(Br)n[nH]c2cc1=O
InChI	InChI=1S/C12H8BrFN4O/c1-6-3-2-4-7(14)11(6)18-9(19)5-8-10(17-18)12(13)16-15-8/h2-5,15H,1H3
InChIKey	KSCHBPYRKVKHOK-UHFFFAOYSA-N
XLogP	2.32
TPSA	63.57 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.13
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?

The IUPAC name of 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163289155) is 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

What is the SMILES notation for 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?

The canonical SMILES for 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2c(Br)n[nH]c2cc1=O.

What is the InChIKey of 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?

The InChIKey is KSCHBPYRKVKHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN4O/c1-6-3-2-4-7(14)11(6)18-9(19)5-8-10(17-18)12(13)16-15-8/h2-5,15H,1H3.

What are the key properties of 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?

3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 323.13 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163289155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 163289155 — identifiers, structure, computed properties (public domain)

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