(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone

C16H17N3O3 — CID 100622951

IUPAC(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
SMILESO=C([C@H](O)c1ccccc1)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C16H17N3O3/c20-15(12-5-2-1-3-6-12)16(21)19-10-8-13(11-19)22-14-7-4-9-17-18-14/h1-7,9,13,15,20H,8,10-11H2/t13-,15+/m0/s1
InChIKeyGJYMHUSCJNVSCK-DZGCQCFKSA-N
MW299.33 g/mol
LogP1.19
Rot. Bonds4

About (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone

(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone (PubChem CID 100622951) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
PubChem CID100622951
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
SMILESO=C([C@H](O)c1ccccc1)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C16H17N3O3/c20-15(12-5-2-1-3-6-12)16(21)19-10-8-13(11-19)22-14-7-4-9-17-18-14/h1-7,9,13,15,20H,8,10-11H2/t13-,15+/m0/s1
InChIKeyGJYMHUSCJNVSCK-DZGCQCFKSA-N
XLogP1.19
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
(E)-3-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100621078
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624368
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146
N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638486
N-(2-fluorophenyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638455

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone?
The IUPAC name of (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone (CID 100622951) is (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone is O=C([C@H](O)c1ccccc1)N1CC[C@H](Oc2cccnn2)C1.
What is the InChIKey of (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone?
The InChIKey is GJYMHUSCJNVSCK-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(12-5-2-1-3-6-12)16(21)19-10-8-13(11-19)22-14-7-4-9-17-18-14/h1-7,9,13,15,20H,8,10-11H2/t13-,15+/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone?
(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone has a molecular weight of 299.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 100622951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).