3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol

C12H20N2O2 — CID 106471105

IUPAC3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
SMILESCC(C)n1ccc(CC2COCCC2O)n1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-5-3-11(13-14)7-10-8-16-6-4-12(10)15/h3,5,9-10,12,15H,4,6-8H2,1-2H3
InChIKeyXPRIJPIKLDJKTI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.40
Rot. Bonds3

About 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol

3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol (PubChem CID 106471105) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
PubChem CID106471105
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
SMILESCC(C)n1ccc(CC2COCCC2O)n1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-5-3-11(13-14)7-10-8-16-6-4-12(10)15/h3,5,9-10,12,15H,4,6-8H2,1-2H3
InChIKeyXPRIJPIKLDJKTI-UHFFFAOYSA-N
XLogP1.40
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657
(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129448969
4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190389
1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65330460
N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
CID 106469287
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011938
3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
CID 107052361
4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81020642
4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771322
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol?
The IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol (CID 106471105) is 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol is CC(C)n1ccc(CC2COCCC2O)n1.
What is the InChIKey of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol?
The InChIKey is XPRIJPIKLDJKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-5-3-11(13-14)7-10-8-16-6-4-12(10)15/h3,5,9-10,12,15H,4,6-8H2,1-2H3.
What are the key properties of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol?
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol has a molecular weight of 224.30 g/mol, XLogP of 1.40, 3 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-4-ol is sourced from PubChem (CID 106471105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).