4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one

C9H7F3N4O2 — CID 141369653

IUPAC4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one
SMILESCn1nc(C(F)(F)F)cc1Oc1cn[nH]c(=O)c1
InChIInChI=1S/C9H7F3N4O2/c1-16-8(3-6(15-16)9(10,11)12)18-5-2-7(17)14-13-4-5/h2-4H,1H3,(H,14,17)
InChIKeyWSAKKRVIWWLUFY-UHFFFAOYSA-N
MW260.18 g/mol
LogP1.31
Rot. Bonds2

About 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one

4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one (PubChem CID 141369653) has the molecular formula C9H7F3N4O2 and a molecular weight of 260.18 g/mol. Its IUPAC name is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one
PubChem CID141369653
Molecular FormulaC9H7F3N4O2
Molecular Weight260.18 g/mol
Exact Mass260.05
IUPAC Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one
SMILESCn1nc(C(F)(F)F)cc1Oc1cn[nH]c(=O)c1
InChIInChI=1S/C9H7F3N4O2/c1-16-8(3-6(15-16)9(10,11)12)18-5-2-7(17)14-13-4-5/h2-4H,1H3,(H,14,17)
InChIKeyWSAKKRVIWWLUFY-UHFFFAOYSA-N
XLogP1.31
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one?
The IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one (CID 141369653) is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one.
What is the SMILES notation for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one?
The canonical SMILES for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one is Cn1nc(C(F)(F)F)cc1Oc1cn[nH]c(=O)c1.
What is the InChIKey of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one?
The InChIKey is WSAKKRVIWWLUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2/c1-16-8(3-6(15-16)9(10,11)12)18-5-2-7(17)14-13-4-5/h2-4H,1H3,(H,14,17).
What are the key properties of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one?
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one has a molecular weight of 260.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one is sourced from PubChem (CID 141369653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).