4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol

C15H26N2O2 — CID 64783123

IUPAC4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol
SMILESCCC(C)n1ccc(CC2(O)CCOC(C)(C)C2)n1
InChIInChI=1S/C15H26N2O2/c1-5-12(2)17-8-6-13(16-17)10-15(18)7-9-19-14(3,4)11-15/h6,8,12,18H,5,7,9-11H2,1-4H3
InChIKeyFEWZCCJGAULSDD-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.72
Rot. Bonds4

About 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol

4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol (PubChem CID 64783123) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol
PubChem CID64783123
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol
SMILESCCC(C)n1ccc(CC2(O)CCOC(C)(C)C2)n1
InChIInChI=1S/C15H26N2O2/c1-5-12(2)17-8-6-13(16-17)10-15(18)7-9-19-14(3,4)11-15/h6,8,12,18H,5,7,9-11H2,1-4H3
InChIKeyFEWZCCJGAULSDD-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propan-2-yloxan-4-ol
CID 64786024
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81116268
4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
CID 65079479
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
CID 116539988
4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 64784476
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
CID 64785216
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 64778489
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
3-[(1-butan-2-ylpyrazol-3-yl)methyl]oxane-3-carbonitrile
CID 65395016
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567499

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol?
The IUPAC name of 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol (CID 64783123) is 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol.
What is the SMILES notation for 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol?
The canonical SMILES for 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol is CCC(C)n1ccc(CC2(O)CCOC(C)(C)C2)n1.
What is the InChIKey of 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol?
The InChIKey is FEWZCCJGAULSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-12(2)17-8-6-13(16-17)10-15(18)7-9-19-14(3,4)11-15/h6,8,12,18H,5,7,9-11H2,1-4H3.
What are the key properties of 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol?
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol has a molecular weight of 266.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol is sourced from PubChem (CID 64783123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).