(3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol

C11H18N2O2 — CID 175516821

IUPAC(3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol
SMILESCC(C)(C)n1ccc([C@H]2C[C@@H](O)CO2)n1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)13-5-4-9(12-13)10-6-8(14)7-15-10/h4-5,8,10,14H,6-7H2,1-3H3/t8-,10-/m1/s1
InChIKeyLZHROSJRJZGSIM-PSASIEDQSA-N
MW210.28 g/mol
LogP1.46
Rot. Bonds1

About (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol

(3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol (PubChem CID 175516821) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol
PubChem CID175516821
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol
SMILESCC(C)(C)n1ccc([C@H]2C[C@@H](O)CO2)n1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)13-5-4-9(12-13)10-6-8(14)7-15-10/h4-5,8,10,14H,6-7H2,1-3H3/t8-,10-/m1/s1
InChIKeyLZHROSJRJZGSIM-PSASIEDQSA-N
XLogP1.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol?
The IUPAC name of (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol (CID 175516821) is (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol.
What is the SMILES notation for (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol?
The canonical SMILES for (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol is CC(C)(C)n1ccc([C@H]2C[C@@H](O)CO2)n1.
What is the InChIKey of (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol?
The InChIKey is LZHROSJRJZGSIM-PSASIEDQSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)13-5-4-9(12-13)10-6-8(14)7-15-10/h4-5,8,10,14H,6-7H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol?
(3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol has a molecular weight of 210.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(1-tert-butylpyrazol-3-yl)oxolan-3-ol is sourced from PubChem (CID 175516821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).