[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol

C13H22N2O2 — CID 66060084

IUPAC[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol
SMILESCC(C)n1ccc(CC2(CO)CCCOC2)n1
InChIInChI=1S/C13H22N2O2/c1-11(2)15-6-4-12(14-15)8-13(9-16)5-3-7-17-10-13/h4,6,11,16H,3,5,7-10H2,1-2H3
InChIKeyDSDGLYVQEJEGRL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.80
Rot. Bonds4

About [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol

[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol (PubChem CID 66060084) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol
PubChem CID66060084
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol
SMILESCC(C)n1ccc(CC2(CO)CCCOC2)n1
InChIInChI=1S/C13H22N2O2/c1-11(2)15-6-4-12(14-15)8-13(9-16)5-3-7-17-10-13/h4,6,11,16H,3,5,7-10H2,1-2H3
InChIKeyDSDGLYVQEJEGRL-UHFFFAOYSA-N
XLogP1.80
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 64771405
[3-[(1-cyclopentylpyrazol-3-yl)methyl]oxan-3-yl]methanol
CID 66057982
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxane-4-carboxylic acid
CID 64773303
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine
CID 65020049
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
[3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol
CID 66060304
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol
CID 106798253
3-[(1-butan-2-ylpyrazol-3-yl)methyl]oxane-3-carbonitrile
CID 65395016
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolane-3-carboxylic acid
CID 114533828
1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 65377213
4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
CID 65079479
4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81131226

Frequently Asked Questions

What is the IUPAC name of [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol (CID 66060084) is [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol is CC(C)n1ccc(CC2(CO)CCCOC2)n1.
What is the InChIKey of [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol?
The InChIKey is DSDGLYVQEJEGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(2)15-6-4-12(14-15)8-13(9-16)5-3-7-17-10-13/h4,6,11,16H,3,5,7-10H2,1-2H3.
What are the key properties of [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol?
[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol is sourced from PubChem (CID 66060084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).