5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one

C11H19N3O2 — CID 83892206

IUPAC5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one
SMILESCC(CN)c1cc(=O)n(C2CCOCC2)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(7-12)10-6-11(15)14(13-10)9-2-4-16-5-3-9/h6,8-9,13H,2-5,7,12H2,1H3
InChIKeyLTRSKRPHTCSXFU-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.59
Rot. Bonds3

About 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one

5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one (PubChem CID 83892206) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one
PubChem CID83892206
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one
SMILESCC(CN)c1cc(=O)n(C2CCOCC2)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(7-12)10-6-11(15)14(13-10)9-2-4-16-5-3-9/h6,8-9,13H,2-5,7,12H2,1H3
InChIKeyLTRSKRPHTCSXFU-UHFFFAOYSA-N
XLogP0.59
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(oxan-4-yl)-1H-pyrazol-3-one
CID 83880109
2-[2-(oxan-4-yl)-3-oxo-1H-pyrazol-5-yl]acetaldehyde
CID 83884958
2-(oxan-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 155450961
2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one
CID 99110856
2-[1-(oxolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105449225
2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one
CID 146485613
2-cyclopentyl-5-ethyl-1H-pyrazol-3-one
CID 66020467
(4S)-1-(oxan-4-yl)-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 97264242
5-amino-2-cyclohexyl-1H-pyrazol-3-one
CID 46318268
2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine
CID 115113235
(4R)-6-methyl-4-(2-methylpropyl)-1-(oxan-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
CID 97264856
(4S)-6-methyl-4-(2-methylpropyl)-1-(oxan-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
CID 97264855

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one (CID 83892206) is 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one is CC(CN)c1cc(=O)n(C2CCOCC2)[nH]1.
What is the InChIKey of 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one?
The InChIKey is LTRSKRPHTCSXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(7-12)10-6-11(15)14(13-10)9-2-4-16-5-3-9/h6,8-9,13H,2-5,7,12H2,1H3.
What are the key properties of 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one?
5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 83892206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).