3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

C20H21Cl2N5O — CID 133363047

IUPAC3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccn(-c2ccc(N3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)nn2)n1
InChIInChI=1S/C20H21Cl2N5O/c1-14-6-11-27(25-14)20-5-4-19(23-24-20)26-9-7-16(8-10-26)28-13-15-2-3-17(21)18(22)12-15/h2-6,11-12,16H,7-10,13H2,1H3
InChIKeyQMUQHDRHVMKFDE-UHFFFAOYSA-N
MW418.33 g/mol
LogP4.46
Rot. Bonds5

About 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (PubChem CID 133363047) has the molecular formula C20H21Cl2N5O and a molecular weight of 418.33 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
PubChem CID133363047
Molecular FormulaC20H21Cl2N5O
Molecular Weight418.33 g/mol
Exact Mass417.11
IUPAC Name3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccn(-c2ccc(N3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)nn2)n1
InChIInChI=1S/C20H21Cl2N5O/c1-14-6-11-27(25-14)20-5-4-19(23-24-20)26-9-7-16(8-10-26)28-13-15-2-3-17(21)18(22)12-15/h2-6,11-12,16H,7-10,13H2,1H3
InChIKeyQMUQHDRHVMKFDE-UHFFFAOYSA-N
XLogP4.46
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (CID 133363047) is 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is Cc1ccn(-c2ccc(N3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)nn2)n1.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The InChIKey is QMUQHDRHVMKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O/c1-14-6-11-27(25-14)20-5-4-19(23-24-20)26-9-7-16(8-10-26)28-13-15-2-3-17(21)18(22)12-15/h2-6,11-12,16H,7-10,13H2,1H3.
What are the key properties of 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine has a molecular weight of 418.33 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 133363047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).