2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one

C19H23N3O2 — CID 154581315

IUPAC2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(COc2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H23N3O2/c1-14(2)19(23)22-11-10-15(12-22)13-24-18-9-8-17(20-21-18)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyLXMMGQGTIWVLOD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.03
Rot. Bonds5

About 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one

2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 154581315) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
PubChem CID154581315
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(COc2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H23N3O2/c1-14(2)19(23)22-11-10-15(12-22)13-24-18-9-8-17(20-21-18)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyLXMMGQGTIWVLOD-UHFFFAOYSA-N
XLogP3.03
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154583531
4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 154581394
[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154581477
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 154576135
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 154576429
2-[[1-(2-methylpropanoyl)pyrrolidin-3-yl]methyl]-1-phenylprop-2-en-1-one
CID 163265026
1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154576332
[4-[6-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 134420781
1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 154576070
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 154576110
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]ethanone
CID 154576140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one (CID 154581315) is 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(COc2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is LXMMGQGTIWVLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)19(23)22-11-10-15(12-22)13-24-18-9-8-17(20-21-18)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 325.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 154581315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).