4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine

C7H4BrFN4 — CID 90319461

IUPAC4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine
SMILESFc1cn(-c2ccnnc2)nc1Br
InChIInChI=1S/C7H4BrFN4/c8-7-6(9)4-13(12-7)5-1-2-10-11-3-5/h1-4H
InChIKeyOHXXITFGXFEKNS-UHFFFAOYSA-N
MW243.04 g/mol
LogP1.56
Rot. Bonds1

About 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine

4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine (PubChem CID 90319461) has the molecular formula C7H4BrFN4 and a molecular weight of 243.04 g/mol. Its IUPAC name is 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine
PubChem CID90319461
Molecular FormulaC7H4BrFN4
Molecular Weight243.04 g/mol
Exact Mass241.96
IUPAC Name4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine
SMILESFc1cn(-c2ccnnc2)nc1Br
InChIInChI=1S/C7H4BrFN4/c8-7-6(9)4-13(12-7)5-1-2-10-11-3-5/h1-4H
InChIKeyOHXXITFGXFEKNS-UHFFFAOYSA-N
XLogP1.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine?
The IUPAC name of 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine (CID 90319461) is 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine.
What is the SMILES notation for 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine?
The canonical SMILES for 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine is Fc1cn(-c2ccnnc2)nc1Br.
What is the InChIKey of 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine?
The InChIKey is OHXXITFGXFEKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN4/c8-7-6(9)4-13(12-7)5-1-2-10-11-3-5/h1-4H.
What are the key properties of 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine?
4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine has a molecular weight of 243.04 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluoropyrazol-1-yl)pyridazine is sourced from PubChem (CID 90319461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).