1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine

C11H19N3O — CID 63974246

IUPAC1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCn1nccc1C(N)CC1CCCO1
InChIInChI=1S/C11H19N3O/c1-2-14-11(5-6-13-14)10(12)8-9-4-3-7-15-9/h5-6,9-10H,2-4,7-8,12H2,1H3
InChIKeyMIUQXYOOFTZMAQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds4

About 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine

1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 63974246) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID63974246
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCn1nccc1C(N)CC1CCCO1
InChIInChI=1S/C11H19N3O/c1-2-14-11(5-6-13-14)10(12)8-9-4-3-7-15-9/h5-6,9-10H,2-4,7-8,12H2,1H3
InChIKeyMIUQXYOOFTZMAQ-UHFFFAOYSA-N
XLogP1.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (CID 63974246) is 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is CCn1nccc1C(N)CC1CCCO1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is MIUQXYOOFTZMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-11(5-6-13-14)10(12)8-9-4-3-7-15-9/h5-6,9-10H,2-4,7-8,12H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 63974246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).