(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine

C10H17N3O — CID 124709371

IUPAC(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine
SMILESCC(C)n1nccc1[C@@H]1OCC[C@H]1N
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(3-5-12-13)10-8(11)4-6-14-10/h3,5,7-8,10H,4,6,11H2,1-2H3/t8-,10-/m1/s1
InChIKeyJOFRKRVKFQLQIU-PSASIEDQSA-N
MW195.27 g/mol
LogP1.25
Rot. Bonds2

About (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine

(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine (PubChem CID 124709371) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine
PubChem CID124709371
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine
SMILESCC(C)n1nccc1[C@@H]1OCC[C@H]1N
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(3-5-12-13)10-8(11)4-6-14-10/h3,5,7-8,10H,4,6,11H2,1-2H3/t8-,10-/m1/s1
InChIKeyJOFRKRVKFQLQIU-PSASIEDQSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine?
The IUPAC name of (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine (CID 124709371) is (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine is CC(C)n1nccc1[C@@H]1OCC[C@H]1N.
What is the InChIKey of (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine?
The InChIKey is JOFRKRVKFQLQIU-PSASIEDQSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-9(3-5-12-13)10-8(11)4-6-14-10/h3,5,7-8,10H,4,6,11H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine?
(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 124709371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).