4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol

C15H26N2O2 — CID 65079479

IUPAC4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
SMILESCCC(CC)n1ccc(CC2(O)CCCOCC2)n1
InChIInChI=1S/C15H26N2O2/c1-3-14(4-2)17-9-6-13(16-17)12-15(18)7-5-10-19-11-8-15/h6,9,14,18H,3-5,7-8,10-12H2,1-2H3
InChIKeyOTYFHXLGYAZYHT-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.72
Rot. Bonds5

About 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol

4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol (PubChem CID 65079479) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol.

Molecular Properties

Compound Name4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
PubChem CID65079479
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
SMILESCCC(CC)n1ccc(CC2(O)CCCOCC2)n1
InChIInChI=1S/C15H26N2O2/c1-3-14(4-2)17-9-6-13(16-17)12-15(18)7-5-10-19-11-8-15/h6,9,14,18H,3-5,7-8,10-12H2,1-2H3
InChIKeyOTYFHXLGYAZYHT-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol?
The IUPAC name of 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol (CID 65079479) is 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol.
What is the SMILES notation for 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol?
The canonical SMILES for 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol is CCC(CC)n1ccc(CC2(O)CCCOCC2)n1.
What is the InChIKey of 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol?
The InChIKey is OTYFHXLGYAZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-14(4-2)17-9-6-13(16-17)12-15(18)7-5-10-19-11-8-15/h6,9,14,18H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol?
4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol has a molecular weight of 266.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol is sourced from PubChem (CID 65079479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).