3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine

C20H22ClN5O — CID 16733178

IUPAC3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)n1
InChIInChI=1S/C20H22ClN5O/c1-14-13-15(2)26(24-14)20-8-7-19(22-23-20)25-11-9-16(10-12-25)27-18-6-4-3-5-17(18)21/h3-8,13,16H,9-12H2,1-2H3
InChIKeyRHRMZBFNJTZKIO-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.98
Rot. Bonds4

About 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine

3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 16733178) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
PubChem CID16733178
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)n1
InChIInChI=1S/C20H22ClN5O/c1-14-13-15(2)26(24-14)20-8-7-19(22-23-20)25-11-9-16(10-12-25)27-18-6-4-3-5-17(18)21/h3-8,13,16H,9-12H2,1-2H3
InChIKeyRHRMZBFNJTZKIO-UHFFFAOYSA-N
XLogP3.98
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (CID 16733178) is 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is Cc1cc(C)n(-c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)n1.
What is the InChIKey of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The InChIKey is RHRMZBFNJTZKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-14-13-15(2)26(24-14)20-8-7-19(22-23-20)25-11-9-16(10-12-25)27-18-6-4-3-5-17(18)21/h3-8,13,16H,9-12H2,1-2H3.
What are the key properties of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 383.88 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 16733178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).