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

C12H20N2O2 — CID 64772234

IUPAC4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
SMILESCC(C)n1ccc(CC2(O)CCOCC2)n1
InChIInChI=1S/C12H20N2O2/c1-10(2)14-6-3-11(13-14)9-12(15)4-7-16-8-5-12/h3,6,10,15H,4-5,7-9H2,1-2H3
InChIKeyJLVHOZDKTQYYNC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.55
Rot. Bonds3

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

4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol (PubChem CID 64772234) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
PubChem CID64772234
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
SMILESCC(C)n1ccc(CC2(O)CCOCC2)n1
InChIInChI=1S/C12H20N2O2/c1-10(2)14-6-3-11(13-14)9-12(15)4-7-16-8-5-12/h3,6,10,15H,4-5,7-9H2,1-2H3
InChIKeyJLVHOZDKTQYYNC-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol (CID 64772234) is 4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol is CC(C)n1ccc(CC2(O)CCOCC2)n1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol?
The InChIKey is JLVHOZDKTQYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(2)14-6-3-11(13-14)9-12(15)4-7-16-8-5-12/h3,6,10,15H,4-5,7-9H2,1-2H3.
What are the key properties of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol?
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol has a molecular weight of 224.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol is sourced from PubChem (CID 64772234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).