1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole

C11H18N2O — CID 59186188

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C[C@H]2CCCO2)c1
InChIInChI=1S/C11H18N2O/c1-9(2)10-6-12-13(7-10)8-11-4-3-5-14-11/h6-7,9,11H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyWMFLRLMYDAGSKA-LLVKDONJSA-N
MW194.28 g/mol
LogP2.19
Rot. Bonds3

About 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole

1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole (PubChem CID 59186188) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole
PubChem CID59186188
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C[C@H]2CCCO2)c1
InChIInChI=1S/C11H18N2O/c1-9(2)10-6-12-13(7-10)8-11-4-3-5-14-11/h6-7,9,11H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyWMFLRLMYDAGSKA-LLVKDONJSA-N
XLogP2.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole (CID 59186188) is 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole is CC(C)c1cnn(C[C@H]2CCCO2)c1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole?
The InChIKey is WMFLRLMYDAGSKA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)10-6-12-13(7-10)8-11-4-3-5-14-11/h6-7,9,11H,3-5,8H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole?
1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole is sourced from PubChem (CID 59186188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).