(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine

C10H17N3O — CID 91647715

IUPAC(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N
InChIInChI=1S/C10H17N3O/c1-6-9(7(2)13(3)12-6)10-8(11)4-5-14-10/h8,10H,4-5,11H2,1-3H3/t8-,10-/m0/s1
InChIKeyLZNKBIFLXUQUBU-WPRPVWTQSA-N
MW195.27 g/mol
LogP0.83
Rot. Bonds1

About (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine

(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine (PubChem CID 91647715) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
PubChem CID91647715
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N
InChIInChI=1S/C10H17N3O/c1-6-9(7(2)13(3)12-6)10-8(11)4-5-14-10/h8,10H,4-5,11H2,1-3H3/t8-,10-/m0/s1
InChIKeyLZNKBIFLXUQUBU-WPRPVWTQSA-N
XLogP0.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The IUPAC name of (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine (CID 91647715) is (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine.
What is the SMILES notation for (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The canonical SMILES for (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N.
What is the InChIKey of (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The InChIKey is LZNKBIFLXUQUBU-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6-9(7(2)13(3)12-6)10-8(11)4-5-14-10/h8,10H,4-5,11H2,1-3H3/t8-,10-/m0/s1.
What are the key properties of (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine is sourced from PubChem (CID 91647715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).