1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C12H19N3O — CID 116598430

IUPAC1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2(N)CCC2)n1
InChIInChI=1S/C12H19N3O/c1-9(2)15-7-4-10(14-15)8-11(16)12(13)5-3-6-12/h4,7,9H,3,5-6,8,13H2,1-2H3
InChIKeyXTMPLBZMTRAREW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.46
Rot. Bonds4

About 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 116598430) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID116598430
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2(N)CCC2)n1
InChIInChI=1S/C12H19N3O/c1-9(2)15-7-4-10(14-15)8-11(16)12(13)5-3-6-12/h4,7,9H,3,5-6,8,13H2,1-2H3
InChIKeyXTMPLBZMTRAREW-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 116598430) is 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1ccc(CC(=O)C2(N)CCC2)n1.
What is the InChIKey of 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is XTMPLBZMTRAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)15-7-4-10(14-15)8-11(16)12(13)5-3-6-12/h4,7,9H,3,5-6,8,13H2,1-2H3.
What are the key properties of 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116598430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).