3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine

C19H18Cl2N4O2 — CID 122181310

IUPAC3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H18Cl2N4O2/c1-3-26-19-18(27-16-10-13(20)6-7-14(16)21)11(2)25(24-19)17-9-8-15(22-23-17)12-4-5-12/h6-10,12H,3-5H2,1-2H3
InChIKeyHQCMNAMELIHTED-UHFFFAOYSA-N
MW405.29 g/mol
LogP5.35
Rot. Bonds6

About 3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine

3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine (PubChem CID 122181310) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
PubChem CID122181310
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H18Cl2N4O2/c1-3-26-19-18(27-16-10-13(20)6-7-14(16)21)11(2)25(24-19)17-9-8-15(22-23-17)12-4-5-12/h6-10,12H,3-5H2,1-2H3
InChIKeyHQCMNAMELIHTED-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-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine (CID 122181310) is 3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine is CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine?
The InChIKey is HQCMNAMELIHTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-3-26-19-18(27-16-10-13(20)6-7-14(16)21)11(2)25(24-19)17-9-8-15(22-23-17)12-4-5-12/h6-10,12H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-6-[4-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine?
3-cyclopropyl-6-[4-(2,5-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-(2,5-dichlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]pyridazine is sourced from PubChem (CID 122181310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).