3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one

C16H23N3O2 — CID 100620918

IUPAC3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C16H23N3O2/c20-16(8-7-13-4-1-2-5-13)19-11-9-14(12-19)21-15-6-3-10-17-18-15/h3,6,10,13-14H,1-2,4-5,7-9,11-12H2/t14-/m1/s1
InChIKeySGOZNIBTURMSNU-CQSZACIVSA-N
MW289.38 g/mol
LogP2.43
Rot. Bonds5

About 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one (PubChem CID 100620918) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
PubChem CID100620918
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C16H23N3O2/c20-16(8-7-13-4-1-2-5-13)19-11-9-14(12-19)21-15-6-3-10-17-18-15/h3,6,10,13-14H,1-2,4-5,7-9,11-12H2/t14-/m1/s1
InChIKeySGOZNIBTURMSNU-CQSZACIVSA-N
XLogP2.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639054
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638486
3-(3-methylphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100623367
3-cyclopentyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
CID 122247079
1-[3-oxo-3-(3-pyridazin-3-yloxypyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 91627186
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 100622926
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one (CID 100620918) is 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CC[C@@H](Oc2cccnn2)C1.
What is the InChIKey of 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one?
The InChIKey is SGOZNIBTURMSNU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(8-7-13-4-1-2-5-13)19-11-9-14(12-19)21-15-6-3-10-17-18-15/h3,6,10,13-14H,1-2,4-5,7-9,11-12H2/t14-/m1/s1.
What are the key properties of 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one has a molecular weight of 289.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 100620918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).