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

C18H18F2N4O2 — CID 118430657

IUPAC3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine
SMILESCc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1
InChIInChI=1S/C18H18F2N4O2/c1-10(2)25-18-16(26-17-13(19)6-5-7-14(17)20)12(4)24(23-18)15-9-8-11(3)21-22-15/h5-10H,1-4H3
InChIKeyNJGBEVSXTMMBPQ-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.14
Rot. Bonds5

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

3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine (PubChem CID 118430657) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine
PubChem CID118430657
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine
SMILESCc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1
InChIInChI=1S/C18H18F2N4O2/c1-10(2)25-18-16(26-17-13(19)6-5-7-14(17)20)12(4)24(23-18)15-9-8-11(3)21-22-15/h5-10H,1-4H3
InChIKeyNJGBEVSXTMMBPQ-UHFFFAOYSA-N
XLogP4.14
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine (CID 118430657) is 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine is Cc1ccc(-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-methylpyridazine?
The InChIKey is NJGBEVSXTMMBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-10(2)25-18-16(26-17-13(19)6-5-7-14(17)20)12(4)24(23-18)15-9-8-11(3)21-22-15/h5-10H,1-4H3.
What are the key properties of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine?
3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine has a molecular weight of 360.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-methylpyridazine is sourced from PubChem (CID 118430657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).