[(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate

C10H14N2O3 — CID 170075845

IUPAC[(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1CO[C@@H](c2cc(C)[nH]n2)C1
InChIInChI=1S/C10H14N2O3/c1-6-3-9(12-11-6)10-4-8(5-14-10)15-7(2)13/h3,8,10H,4-5H2,1-2H3,(H,11,12)/t8-,10-/m1/s1
InChIKeyJSUFYYNGTPUWAC-PSASIEDQSA-N
MW210.23 g/mol
LogP1.11
Rot. Bonds2

About [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate

[(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate (PubChem CID 170075845) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate
PubChem CID170075845
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name[(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1CO[C@@H](c2cc(C)[nH]n2)C1
InChIInChI=1S/C10H14N2O3/c1-6-3-9(12-11-6)10-4-8(5-14-10)15-7(2)13/h3,8,10H,4-5H2,1-2H3,(H,11,12)/t8-,10-/m1/s1
InChIKeyJSUFYYNGTPUWAC-PSASIEDQSA-N
XLogP1.11
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate?
The IUPAC name of [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate (CID 170075845) is [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate.
What is the SMILES notation for [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate?
The canonical SMILES for [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate is CC(=O)O[C@H]1CO[C@@H](c2cc(C)[nH]n2)C1.
What is the InChIKey of [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate?
The InChIKey is JSUFYYNGTPUWAC-PSASIEDQSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-3-9(12-11-6)10-4-8(5-14-10)15-7(2)13/h3,8,10H,4-5H2,1-2H3,(H,11,12)/t8-,10-/m1/s1.
What are the key properties of [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate?
[(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate has a molecular weight of 210.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate is sourced from PubChem (CID 170075845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).