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

C11H11F3N4O2 — CID 19436778

IUPAC5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCCOc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C11H11F3N4O2/c1-3-19-7-4-9(16-15-6-7)20-10-5-8(11(12,13)14)17-18(10)2/h4-6H,3H2,1-2H3
InChIKeySQJWHFNNVBCCCA-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.42
Rot. Bonds4

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

5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (PubChem CID 19436778) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.

Molecular Properties

Compound Name5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
PubChem CID19436778
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCCOc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C11H11F3N4O2/c1-3-19-7-4-9(16-15-6-7)20-10-5-8(11(12,13)14)17-18(10)2/h4-6H,3H2,1-2H3
InChIKeySQJWHFNNVBCCCA-UHFFFAOYSA-N
XLogP2.42
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The IUPAC name of 5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (CID 19436778) is 5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.
What is the SMILES notation for 5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The canonical SMILES for 5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is CCOc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The InChIKey is SQJWHFNNVBCCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-3-19-7-4-9(16-15-6-7)20-10-5-8(11(12,13)14)17-18(10)2/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine has a molecular weight of 288.23 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is sourced from PubChem (CID 19436778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).