[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol

C14H25N3O2 — CID 106297418

IUPAC[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
SMILESCCc1cc(CNC2(CO)CCOCC2)n(CC)n1
InChIInChI=1S/C14H25N3O2/c1-3-12-9-13(17(4-2)16-12)10-15-14(11-18)5-7-19-8-6-14/h9,15,18H,3-8,10-11H2,1-2H3
InChIKeyQZNUYIWDBIMYAC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.10
Rot. Bonds6

About [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol

[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol (PubChem CID 106297418) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
PubChem CID106297418
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
SMILESCCc1cc(CNC2(CO)CCOCC2)n(CC)n1
InChIInChI=1S/C14H25N3O2/c1-3-12-9-13(17(4-2)16-12)10-15-14(11-18)5-7-19-8-6-14/h9,15,18H,3-8,10-11H2,1-2H3
InChIKeyQZNUYIWDBIMYAC-UHFFFAOYSA-N
XLogP1.10
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297511
2-[1-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756258
[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol
CID 106297060
2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852272
[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol
CID 103765942
[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297503
[4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol
CID 106297102
N-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-1-amine
CID 83013960
[4-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025190
2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide
CID 103954364
2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide
CID 112673626
[4-[(3,5-difluorophenyl)methylamino]oxan-4-yl]methanol
CID 113338447

Frequently Asked Questions

What is the IUPAC name of [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol?
The IUPAC name of [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol (CID 106297418) is [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol is CCc1cc(CNC2(CO)CCOCC2)n(CC)n1.
What is the InChIKey of [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol?
The InChIKey is QZNUYIWDBIMYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-12-9-13(17(4-2)16-12)10-15-14(11-18)5-7-19-8-6-14/h9,15,18H,3-8,10-11H2,1-2H3.
What are the key properties of [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol?
[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol has a molecular weight of 267.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol is sourced from PubChem (CID 106297418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).