2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine

C12H21N3O — CID 103986856

IUPAC2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CC2CCOC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-4-15-8-11(7-14-15)12(13)6-10-3-5-16-9-10/h7-8,10,12H,2-6,9,13H2,1H3
InChIKeyYSJPTKFMBMDMLY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds5

About 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine

2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 103986856) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID103986856
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CC2CCOC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-4-15-8-11(7-14-15)12(13)6-10-3-5-16-9-10/h7-8,10,12H,2-6,9,13H2,1H3
InChIKeyYSJPTKFMBMDMLY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
N-(oxolan-3-ylmethyl)-1-propylpyrazol-4-amine
CID 115887965
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 115808203
2-(oxolan-3-yl)-1-(4-propylphenyl)ethanamine
CID 103986875
(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 130791829
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159
N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903
oxolan-2-yl-(1-propylpyrazol-4-yl)methanamine
CID 65331147
(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808146
2-(oxolan-3-yl)-1-(4-phenylphenyl)ethanamine
CID 103986749
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105138644
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine (CID 103986856) is 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(N)CC2CCOC2)cn1.
What is the InChIKey of 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is YSJPTKFMBMDMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-4-15-8-11(7-14-15)12(13)6-10-3-5-16-9-10/h7-8,10,12H,2-6,9,13H2,1H3.
What are the key properties of 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine?
2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103986856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).