3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine

C19H20F2N4O3 — CID 118430656

IUPAC3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine
SMILESCCOc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1
InChIInChI=1S/C19H20F2N4O3/c1-5-26-16-10-9-15(22-23-16)25-12(4)17(19(24-25)27-11(2)3)28-18-13(20)7-6-8-14(18)21/h6-11H,5H2,1-4H3
InChIKeyUVTJPCSJUJCXKL-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.23
Rot. Bonds7

About 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine

3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine (PubChem CID 118430656) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine.

Molecular Properties

Compound Name3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine
PubChem CID118430656
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine
SMILESCCOc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1
InChIInChI=1S/C19H20F2N4O3/c1-5-26-16-10-9-15(22-23-16)25-12(4)17(19(24-25)27-11(2)3)28-18-13(20)7-6-8-14(18)21/h6-11H,5H2,1-4H3
InChIKeyUVTJPCSJUJCXKL-UHFFFAOYSA-N
XLogP4.23
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine
CID 118430657
3-Cyclopropyl-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
CID 118430682
2-(4-(2,6-difluorophenoxy)-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl)pyrimidine
CID 118430649
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyridine
CID 118430450
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrazine
CID 118430477
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethyl-3-fluoropyridine
CID 118430545
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyridine
CID 118430549
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine
CID 118430567
3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine
CID 118430573
5-(1,1-Difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 118430584
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 118430597
3-Chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
CID 118430599

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine?
The IUPAC name of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine (CID 118430656) is 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine.
What is the SMILES notation for 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine?
The canonical SMILES for 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine is CCOc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1.
What is the InChIKey of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine?
The InChIKey is UVTJPCSJUJCXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-5-26-16-10-9-15(22-23-16)25-12(4)17(19(24-25)27-11(2)3)28-18-13(20)7-6-8-14(18)21/h6-11H,5H2,1-4H3.
What are the key properties of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine?
3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine has a molecular weight of 390.39 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine is sourced from PubChem (CID 118430656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).