3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine

C14H10F6N6O2 — CID 19436806

IUPAC3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine
SMILESCn1nc(C(F)(F)F)cc1Oc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C14H10F6N6O2/c1-25-11(4-8(23-25)13(15,16)17)27-7-3-10(22-21-6-7)28-12-5-9(14(18,19)20)24-26(12)2/h3-6H,1-2H3
InChIKeyKYVJVDYHWNJZSA-UHFFFAOYSA-N
MW408.26 g/mol
LogP3.57
Rot. Bonds4

About 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine

3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine (PubChem CID 19436806) has the molecular formula C14H10F6N6O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine.

Molecular Properties

Compound Name3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine
PubChem CID19436806
Molecular FormulaC14H10F6N6O2
Molecular Weight408.26 g/mol
Exact Mass408.08
IUPAC Name3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine
SMILESCn1nc(C(F)(F)F)cc1Oc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C14H10F6N6O2/c1-25-11(4-8(23-25)13(15,16)17)27-7-3-10(22-21-6-7)28-12-5-9(14(18,19)20)24-26(12)2/h3-6H,1-2H3
InChIKeyKYVJVDYHWNJZSA-UHFFFAOYSA-N
XLogP3.57
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine?
The IUPAC name of 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine (CID 19436806) is 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine.
What is the SMILES notation for 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine?
The canonical SMILES for 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine is Cn1nc(C(F)(F)F)cc1Oc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine?
The InChIKey is KYVJVDYHWNJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N6O2/c1-25-11(4-8(23-25)13(15,16)17)27-7-3-10(22-21-6-7)28-12-5-9(14(18,19)20)24-26(12)2/h3-6H,1-2H3.
What are the key properties of 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine?
3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine has a molecular weight of 408.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridazine is sourced from PubChem (CID 19436806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).