2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine

C10H11F3N4O — CID 19436782

IUPAC2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine
SMILESCN1NC=CC=C1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H11F3N4O/c1-16-8(4-3-5-14-16)18-9-6-7(10(11,12)13)15-17(9)2/h3-6,14H,1-2H3
InChIKeyZKFOZRNOGRGGBT-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.62
Rot. Bonds2

About 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine

2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine (PubChem CID 19436782) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine.

Molecular Properties

Compound Name2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine
PubChem CID19436782
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine
SMILESCN1NC=CC=C1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H11F3N4O/c1-16-8(4-3-5-14-16)18-9-6-7(10(11,12)13)15-17(9)2/h3-6,14H,1-2H3
InChIKeyZKFOZRNOGRGGBT-UHFFFAOYSA-N
XLogP1.62
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine?
The IUPAC name of 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine (CID 19436782) is 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine.
What is the SMILES notation for 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine?
The canonical SMILES for 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine is CN1NC=CC=C1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine?
The InChIKey is ZKFOZRNOGRGGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-16-8(4-3-5-14-16)18-9-6-7(10(11,12)13)15-17(9)2/h3-6,14H,1-2H3.
What are the key properties of 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine?
2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine has a molecular weight of 260.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazine is sourced from PubChem (CID 19436782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).