1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole

C11H18N2O — CID 98041419

IUPAC1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole
SMILESCC1(C)C[C@H](n2cccn2)C(C)(C)O1
InChIInChI=1S/C11H18N2O/c1-10(2)8-9(11(3,4)14-10)13-7-5-6-12-13/h5-7,9H,8H2,1-4H3/t9-/m0/s1
InChIKeyOJOYIFJAHKTWEL-VIFPVBQESA-N
MW194.28 g/mol
LogP2.40
Rot. Bonds1

About 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole

1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole (PubChem CID 98041419) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole.

Molecular Properties

Compound Name1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole
PubChem CID98041419
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole
SMILESCC1(C)C[C@H](n2cccn2)C(C)(C)O1
InChIInChI=1S/C11H18N2O/c1-10(2)8-9(11(3,4)14-10)13-7-5-6-12-13/h5-7,9H,8H2,1-4H3/t9-/m0/s1
InChIKeyOJOYIFJAHKTWEL-VIFPVBQESA-N
XLogP2.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole?
The IUPAC name of 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole (CID 98041419) is 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole.
What is the SMILES notation for 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole?
The canonical SMILES for 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole is CC1(C)C[C@H](n2cccn2)C(C)(C)O1.
What is the InChIKey of 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole?
The InChIKey is OJOYIFJAHKTWEL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(2)8-9(11(3,4)14-10)13-7-5-6-12-13/h5-7,9H,8H2,1-4H3/t9-/m0/s1.
What are the key properties of 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole?
1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole is sourced from PubChem (CID 98041419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).