(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

C12H21N3O — CID 97065320

IUPAC(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESC[C@H](NCCn1cccn1)C1CCOCC1
InChIInChI=1S/C12H21N3O/c1-11(12-3-9-16-10-4-12)13-6-8-15-7-2-5-14-15/h2,5,7,11-13H,3-4,6,8-10H2,1H3/t11-/m0/s1
InChIKeyUFHHPMLCDKOTKZ-NSHDSACASA-N
MW223.32 g/mol
LogP1.29
Rot. Bonds5

About (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 97065320) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID97065320
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESC[C@H](NCCn1cccn1)C1CCOCC1
InChIInChI=1S/C12H21N3O/c1-11(12-3-9-16-10-4-12)13-6-8-15-7-2-5-14-15/h2,5,7,11-13H,3-4,6,8-10H2,1H3/t11-/m0/s1
InChIKeyUFHHPMLCDKOTKZ-NSHDSACASA-N
XLogP1.29
TPSA39.08 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 63099547
1-[4-[(1-Pyrazol-1-ylpropan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 53560969
N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyrazol-1-ylethanamine
CID 56781275
4-[(4-Pyrazol-1-ylbutan-2-ylamino)methyl]oxan-4-ol
CID 86784765
N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine
CID 110209293
1-pyrazol-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54962284
1-(2,2-difluoroethyl)-N-(oxan-4-ylmethyl)pyrazol-4-amine
CID 75393028
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 114270881
N-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)ethanamine
CID 77079753
1-ethyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608646
1-(1-Methoxy-4-methylpentan-3-yl)pyrazole
CID 58125074

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 97065320) is (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine is C[C@H](NCCn1cccn1)C1CCOCC1.
What is the InChIKey of (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is UFHHPMLCDKOTKZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(12-3-9-16-10-4-12)13-6-8-15-7-2-5-14-15/h2,5,7,11-13H,3-4,6,8-10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 97065320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).