3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine

C19H18Cl2N4O2 — CID 122181311

IUPAC3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H18Cl2N4O2/c1-3-26-19-18(27-15-9-13(20)8-14(21)10-15)11(2)25(24-19)17-7-6-16(22-23-17)12-4-5-12/h6-10,12H,3-5H2,1-2H3
InChIKeyQWXFURSEJUYSRU-UHFFFAOYSA-N
MW405.29 g/mol
LogP5.35
Rot. Bonds6

About 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine

3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine (PubChem CID 122181311) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
PubChem CID122181311
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H18Cl2N4O2/c1-3-26-19-18(27-15-9-13(20)8-14(21)10-15)11(2)25(24-19)17-7-6-16(22-23-17)12-4-5-12/h6-10,12H,3-5H2,1-2H3
InChIKeyQWXFURSEJUYSRU-UHFFFAOYSA-N
XLogP5.35
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.29
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine (CID 122181311) is 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine is CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine?
The InChIKey is QWXFURSEJUYSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-3-26-19-18(27-15-9-13(20)8-14(21)10-15)11(2)25(24-19)17-7-6-16(22-23-17)12-4-5-12/h6-10,12H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine?
3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine has a molecular weight of 405.29 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(3,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine is sourced from PubChem (CID 122181311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).