2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone

C22H21N3O2 — CID 90638326

IUPAC2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C22H21N3O2/c26-22(25-14-12-20(16-25)27-21-7-4-13-23-24-21)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-11,13,20H,12,14-16H2
InChIKeyZLXOYIPBRKNGGE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.37
Rot. Bonds5

About 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone

2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone (PubChem CID 90638326) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
PubChem CID90638326
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C22H21N3O2/c26-22(25-14-12-20(16-25)27-21-7-4-13-23-24-21)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-11,13,20H,12,14-16H2
InChIKeyZLXOYIPBRKNGGE-UHFFFAOYSA-N
XLogP3.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 90559291
2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638339
(E)-3-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100621078
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 90559617
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100622951
2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 100622926

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone (CID 90638326) is 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is ZLXOYIPBRKNGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(25-14-12-20(16-25)27-21-7-4-13-23-24-21)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-11,13,20H,12,14-16H2.
What are the key properties of 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 359.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 90638326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).