(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine

C10H17N3O — CID 86811656

IUPAC(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine
SMILESCCn1cc([C@H]2OCCC[C@@H]2N)cn1
InChIInChI=1S/C10H17N3O/c1-2-13-7-8(6-12-13)10-9(11)4-3-5-14-10/h6-7,9-10H,2-5,11H2,1H3/t9-,10+/m0/s1
InChIKeyFDJXCDSWLWZOIE-VHSXEESVSA-N
MW195.27 g/mol
LogP1.08
Rot. Bonds2

About (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine

(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine (PubChem CID 86811656) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine
PubChem CID86811656
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine
SMILESCCn1cc([C@H]2OCCC[C@@H]2N)cn1
InChIInChI=1S/C10H17N3O/c1-2-13-7-8(6-12-13)10-9(11)4-3-5-14-10/h6-7,9-10H,2-5,11H2,1H3/t9-,10+/m0/s1
InChIKeyFDJXCDSWLWZOIE-VHSXEESVSA-N
XLogP1.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine?
The IUPAC name of (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine (CID 86811656) is (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine.
What is the SMILES notation for (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine?
The canonical SMILES for (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine is CCn1cc([C@H]2OCCC[C@@H]2N)cn1.
What is the InChIKey of (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine?
The InChIKey is FDJXCDSWLWZOIE-VHSXEESVSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13-7-8(6-12-13)10-9(11)4-3-5-14-10/h6-7,9-10H,2-5,11H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine?
(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-amine is sourced from PubChem (CID 86811656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).