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

C12H21N3O — CID 63974245

IUPAC2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(N)CC1CCCO1
InChIInChI=1S/C12H21N3O/c1-2-7-15-12(5-6-14-15)11(13)9-10-4-3-8-16-10/h5-6,10-11H,2-4,7-9,13H2,1H3
InChIKeyHINQYFWAPVLUSN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds5

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

2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine (PubChem CID 63974245) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine
PubChem CID63974245
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(N)CC1CCCO1
InChIInChI=1S/C12H21N3O/c1-2-7-15-12(5-6-14-15)11(13)9-10-4-3-8-16-10/h5-6,10-11H,2-4,7-9,13H2,1H3
InChIKeyHINQYFWAPVLUSN-UHFFFAOYSA-N
XLogP1.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine (CID 63974245) is 2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine is CCCn1nccc1C(N)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine?
The InChIKey is HINQYFWAPVLUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-7-15-12(5-6-14-15)11(13)9-10-4-3-8-16-10/h5-6,10-11H,2-4,7-9,13H2,1H3.
What are the key properties of 2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine?
2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63974245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).