2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone

C17H19N3O3 — CID 90638339

IUPAC2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
SMILESCOc1cccc(CC(=O)N2CCC(Oc3cccnn3)C2)c1
InChIInChI=1S/C17H19N3O3/c1-22-14-5-2-4-13(10-14)11-17(21)20-9-7-15(12-20)23-16-6-3-8-18-19-16/h2-6,8,10,15H,7,9,11-12H2,1H3
InChIKeySINFXHVNRJDMQJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.71
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone

2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone (PubChem CID 90638339) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
PubChem CID90638339
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
SMILESCOc1cccc(CC(=O)N2CCC(Oc3cccnn3)C2)c1
InChIInChI=1S/C17H19N3O3/c1-22-14-5-2-4-13(10-14)11-17(21)20-9-7-15(12-20)23-16-6-3-8-18-19-16/h2-6,8,10,15H,7,9,11-12H2,1H3
InChIKeySINFXHVNRJDMQJ-UHFFFAOYSA-N
XLogP1.71
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
3-(3-methylphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100623367
(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624023
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 90559291
(E)-3-(3,4-dimethoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90638274
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467
2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 100622926
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 80667787
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone (CID 90638339) is 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone is COc1cccc(CC(=O)N2CCC(Oc3cccnn3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is SINFXHVNRJDMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-5-2-4-13(10-14)11-17(21)20-9-7-15(12-20)23-16-6-3-8-18-19-16/h2-6,8,10,15H,7,9,11-12H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 313.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 90638339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).