3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine

C21H29N3O2 — CID 158445104

IUPAC3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine
SMILESCCc1cc(Cc2ccc(OC)c(OCCCN3CCCC3)c2)cnn1
InChIInChI=1S/C21H29N3O2/c1-3-19-14-18(16-22-23-19)13-17-7-8-20(25-2)21(15-17)26-12-6-11-24-9-4-5-10-24/h7-8,14-16H,3-6,9-13H2,1-2H3
InChIKeyHDHIMLDMIZOHAK-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.50
Rot. Bonds9

About 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine

3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine (PubChem CID 158445104) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine.

Molecular Properties

Compound Name3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine
PubChem CID158445104
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine
SMILESCCc1cc(Cc2ccc(OC)c(OCCCN3CCCC3)c2)cnn1
InChIInChI=1S/C21H29N3O2/c1-3-19-14-18(16-22-23-19)13-17-7-8-20(25-2)21(15-17)26-12-6-11-24-9-4-5-10-24/h7-8,14-16H,3-6,9-13H2,1-2H3
InChIKeyHDHIMLDMIZOHAK-UHFFFAOYSA-N
XLogP3.50
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
3-[[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]-5-[2-(oxetan-3-yl)ethyl]pyridazine
CID 161054106
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
2-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
CID 161077030
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131
1-[3-[5-[(4-ethylpyrimidin-2-yl)methyl]-2-methoxyphenoxy]propyl]pyrrolidin-3-ol
CID 158404635
1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
CID 169337129
N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 60881136
2-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine
CID 162190170
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine?
The IUPAC name of 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine (CID 158445104) is 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine.
What is the SMILES notation for 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine?
The canonical SMILES for 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine is CCc1cc(Cc2ccc(OC)c(OCCCN3CCCC3)c2)cnn1.
What is the InChIKey of 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine?
The InChIKey is HDHIMLDMIZOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-19-14-18(16-22-23-19)13-17-7-8-20(25-2)21(15-17)26-12-6-11-24-9-4-5-10-24/h7-8,14-16H,3-6,9-13H2,1-2H3.
What are the key properties of 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine?
3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine has a molecular weight of 355.48 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine is sourced from PubChem (CID 158445104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).