1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone

C12H19N3O2 — CID 116604756

IUPAC1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2(N)CCOCC2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-15-9-10(8-14-15)7-11(16)12(13)3-5-17-6-4-12/h8-9H,2-7,13H2,1H3
InChIKeyVVTZVDXXDRLHGE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.52
Rot. Bonds4

About 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone

1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 116604756) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID116604756
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2(N)CCOCC2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-15-9-10(8-14-15)7-11(16)12(13)3-5-17-6-4-12/h8-9H,2-7,13H2,1H3
InChIKeyVVTZVDXXDRLHGE-UHFFFAOYSA-N
XLogP0.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739
2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79058765
1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 116601394
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569829
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
2-(1-ethylpyrazol-4-yl)-1-(3-methyl-1-adamantyl)ethanone
CID 114965340
N-[[4-[(1-ethylpyrazol-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62904878
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79666666
1-(4-aminooxan-4-yl)-2-(thiadiazol-4-yl)ethanone
CID 130550562
(1-ethylpyrazol-4-yl)methylurea
CID 131065199

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone (CID 116604756) is 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(CC(=O)C2(N)CCOCC2)cn1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is VVTZVDXXDRLHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-15-9-10(8-14-15)7-11(16)12(13)3-5-17-6-4-12/h8-9H,2-7,13H2,1H3.
What are the key properties of 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116604756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).