4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one

C15H17ClN2O2 — CID 82446854

IUPAC4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(OC)cc2)cc(CCl)c1=O
InChIInChI=1S/C15H17ClN2O2/c1-3-8-18-15(19)12(10-16)9-14(17-18)11-4-6-13(20-2)7-5-11/h4-7,9H,3,8,10H2,1-2H3
InChIKeyWQJRHJCWLUDVEM-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.07
Rot. Bonds5

About 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one

4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one (PubChem CID 82446854) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
PubChem CID82446854
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(OC)cc2)cc(CCl)c1=O
InChIInChI=1S/C15H17ClN2O2/c1-3-8-18-15(19)12(10-16)9-14(17-18)11-4-6-13(20-2)7-5-11/h4-7,9H,3,8,10H2,1-2H3
InChIKeyWQJRHJCWLUDVEM-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
2-butyl-6-(4-methoxyphenyl)-4-(sulfanylmethyl)pyridazin-3-one
CID 82447182
4-(chloromethyl)-2-ethyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82445160
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
CID 61265330
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446816
6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446742
4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447397
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559
6-(4-propan-2-ylphenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446660

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one?
The IUPAC name of 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one (CID 82446854) is 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one?
The canonical SMILES for 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccc(OC)cc2)cc(CCl)c1=O.
What is the InChIKey of 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one?
The InChIKey is WQJRHJCWLUDVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-8-18-15(19)12(10-16)9-14(17-18)11-4-6-13(20-2)7-5-11/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one?
4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82446854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).