2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one

C16H19N3O2 — CID 114396351

IUPAC2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC(O)c1ccccc1
InChIInChI=1S/C16H19N3O2/c20-15(13-6-2-1-3-7-13)12-19-16(21)10-14(11-17-19)18-8-4-5-9-18/h1-3,6-7,10-11,15,20H,4-5,8-9,12H2
InChIKeySGBRAMMQTUPRSQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.58
Rot. Bonds4

About 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114396351) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114396351
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC(O)c1ccccc1
InChIInChI=1S/C16H19N3O2/c20-15(13-6-2-1-3-7-13)12-19-16(21)10-14(11-17-19)18-8-4-5-9-18/h1-3,6-7,10-11,15,20H,4-5,8-9,12H2
InChIKeySGBRAMMQTUPRSQ-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95114430
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95114431
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72892602
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzylpyridazin-3-one
CID 53202307
3-hydroxy-4-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]butanoic acid
CID 114394160

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 114396351) is 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1CC(O)c1ccccc1.
What is the InChIKey of 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is SGBRAMMQTUPRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(13-6-2-1-3-7-13)12-19-16(21)10-14(11-17-19)18-8-4-5-9-18/h1-3,6-7,10-11,15,20H,4-5,8-9,12H2.
What are the key properties of 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 285.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114396351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).