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

C18H18F2N4O3 — CID 118430573

IUPAC3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine
SMILESCOc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1
InChIInChI=1S/C18H18F2N4O3/c1-10(2)26-18-16(27-17-12(19)6-5-7-13(17)20)11(3)24(23-18)14-8-9-15(25-4)22-21-14/h5-10H,1-4H3
InChIKeyQKQTWUMCOREFIB-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.84
Rot. Bonds6

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

3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine (PubChem CID 118430573) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine
PubChem CID118430573
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine
SMILESCOc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1
InChIInChI=1S/C18H18F2N4O3/c1-10(2)26-18-16(27-17-12(19)6-5-7-13(17)20)11(3)24(23-18)14-8-9-15(25-4)22-21-14/h5-10H,1-4H3
InChIKeyQKQTWUMCOREFIB-UHFFFAOYSA-N
XLogP3.84
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.84
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
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
5-Bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 118430619

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine?
The IUPAC name of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine (CID 118430573) is 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine.
What is the SMILES notation for 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine?
The canonical SMILES for 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine is COc1ccc(-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-methoxypyridazine?
The InChIKey is QKQTWUMCOREFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c1-10(2)26-18-16(27-17-12(19)6-5-7-13(17)20)11(3)24(23-18)14-8-9-15(25-4)22-21-14/h5-10H,1-4H3.
What are the key properties of 3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine?
3-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine has a molecular weight of 376.36 g/mol, XLogP of 3.84, 6 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-methoxypyridazine is sourced from PubChem (CID 118430573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).