[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine

C11H19N3O — CID 122164258

IUPAC[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine
SMILESCCn1nccc1[C@@H]1OCCC[C@H]1CN
InChIInChI=1S/C11H19N3O/c1-2-14-10(5-6-13-14)11-9(8-12)4-3-7-15-11/h5-6,9,11H,2-4,7-8,12H2,1H3/t9-,11+/m0/s1
InChIKeyVYEOVTOVVBEVJI-GXSJLCMTSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds3

About [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine

[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine (PubChem CID 122164258) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine
PubChem CID122164258
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine
SMILESCCn1nccc1[C@@H]1OCCC[C@H]1CN
InChIInChI=1S/C11H19N3O/c1-2-14-10(5-6-13-14)11-9(8-12)4-3-7-15-11/h5-6,9,11H,2-4,7-8,12H2,1H3/t9-,11+/m0/s1
InChIKeyVYEOVTOVVBEVJI-GXSJLCMTSA-N
XLogP1.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine?
The IUPAC name of [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine (CID 122164258) is [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine.
What is the SMILES notation for [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine?
The canonical SMILES for [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine is CCn1nccc1[C@@H]1OCCC[C@H]1CN.
What is the InChIKey of [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine?
The InChIKey is VYEOVTOVVBEVJI-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-10(5-6-13-14)11-9(8-12)4-3-7-15-11/h5-6,9,11H,2-4,7-8,12H2,1H3/t9-,11+/m0/s1.
What are the key properties of [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine?
[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 122164258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).