1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C12H21N3O — CID 65330460

IUPAC1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(C)n1ccc(CC(N)C2CCOC2)n1
InChIInChI=1S/C12H21N3O/c1-9(2)15-5-3-11(14-15)7-12(13)10-4-6-16-8-10/h3,5,9-10,12H,4,6-8,13H2,1-2H3
InChIKeyZSONYGPKHQDQGJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.37
Rot. Bonds4

About 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 65330460) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID65330460
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(C)n1ccc(CC(N)C2CCOC2)n1
InChIInChI=1S/C12H21N3O/c1-9(2)15-5-3-11(14-15)7-12(13)10-4-6-16-8-10/h3,5,9-10,12H,4,6-8,13H2,1-2H3
InChIKeyZSONYGPKHQDQGJ-UHFFFAOYSA-N
XLogP1.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 65330460) is 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CC(C)n1ccc(CC(N)C2CCOC2)n1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is ZSONYGPKHQDQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15-5-3-11(14-15)7-12(13)10-4-6-16-8-10/h3,5,9-10,12H,4,6-8,13H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65330460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).