5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

C9H6BrF3N4O — CID 19436792

IUPAC5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(Br)cnn1
InChIInChI=1S/C9H6BrF3N4O/c1-17-8(3-6(16-17)9(11,12)13)18-7-2-5(10)4-14-15-7/h2-4H,1H3
InChIKeyUFHSTDZELMMYJI-UHFFFAOYSA-N
MW323.07 g/mol
LogP2.78
Rot. Bonds2

About 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (PubChem CID 19436792) has the molecular formula C9H6BrF3N4O and a molecular weight of 323.07 g/mol. Its IUPAC name is 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.

Molecular Properties

Compound Name5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
PubChem CID19436792
Molecular FormulaC9H6BrF3N4O
Molecular Weight323.07 g/mol
Exact Mass321.97
IUPAC Name5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(Br)cnn1
InChIInChI=1S/C9H6BrF3N4O/c1-17-8(3-6(16-17)9(11,12)13)18-7-2-5(10)4-14-15-7/h2-4H,1H3
InChIKeyUFHSTDZELMMYJI-UHFFFAOYSA-N
XLogP2.78
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.07
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The IUPAC name of 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (CID 19436792) is 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.
What is the SMILES notation for 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The canonical SMILES for 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is Cn1nc(C(F)(F)F)cc1Oc1cc(Br)cnn1.
What is the InChIKey of 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The InChIKey is UFHSTDZELMMYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N4O/c1-17-8(3-6(16-17)9(11,12)13)18-7-2-5(10)4-14-15-7/h2-4H,1H3.
What are the key properties of 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine has a molecular weight of 323.07 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is sourced from PubChem (CID 19436792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).