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

C17H15ClF2N4O2 — CID 118430599

IUPAC3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(Cl)nn1
InChIInChI=1S/C17H15ClF2N4O2/c1-9(2)25-17-15(26-16-11(19)5-4-6-12(16)20)10(3)24(23-17)14-8-7-13(18)21-22-14/h4-9H,1-3H3
InChIKeyUETCPJXICRNRPK-UHFFFAOYSA-N
MW380.78 g/mol
LogP4.48
Rot. Bonds5

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

3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine (PubChem CID 118430599) has the molecular formula C17H15ClF2N4O2 and a molecular weight of 380.78 g/mol. Its IUPAC name is 3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
PubChem CID118430599
Molecular FormulaC17H15ClF2N4O2
Molecular Weight380.78 g/mol
Exact Mass380.09
IUPAC Name3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(Cl)nn1
InChIInChI=1S/C17H15ClF2N4O2/c1-9(2)25-17-15(26-16-11(19)5-4-6-12(16)20)10(3)24(23-17)14-8-7-13(18)21-22-14/h4-9H,1-3H3
InChIKeyUETCPJXICRNRPK-UHFFFAOYSA-N
XLogP4.48
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methoxypyridazine
CID 118430573
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 118430597
3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-ethoxypyridazine
CID 118430656
3-Cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine
CID 122181303
3-[4-(2-Chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-6-cyclopropylpyridazine
CID 122181304
3-Cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
CID 122181306
3-Cyclopropyl-6-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
CID 122181307
3-Cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
CID 122181308
3-Cyclopropyl-6-[4-(2,3-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
CID 122181309
3-Cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
CID 122181310

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine (CID 118430599) is 3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine?
The InChIKey is UETCPJXICRNRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N4O2/c1-9(2)25-17-15(26-16-11(19)5-4-6-12(16)20)10(3)24(23-17)14-8-7-13(18)21-22-14/h4-9H,1-3H3.
What are the key properties of 3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine?
3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine has a molecular weight of 380.78 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine is sourced from PubChem (CID 118430599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).