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

C14H24BrN3O2 — CID 106297511

IUPAC[4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
SMILESCCc1nn(CC)c(CNC2(CO)CCOCC2)c1Br
InChIInChI=1S/C14H24BrN3O2/c1-3-11-13(15)12(18(4-2)17-11)9-16-14(10-19)5-7-20-8-6-14/h16,19H,3-10H2,1-2H3
InChIKeyICZBUNWVOUEWBH-UHFFFAOYSA-N
MW346.27 g/mol
LogP1.86
Rot. Bonds6

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

[4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol (PubChem CID 106297511) has the molecular formula C14H24BrN3O2 and a molecular weight of 346.27 g/mol. Its IUPAC name is [4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
PubChem CID106297511
Molecular FormulaC14H24BrN3O2
Molecular Weight346.27 g/mol
Exact Mass345.11
IUPAC Name[4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
SMILESCCc1nn(CC)c(CNC2(CO)CCOCC2)c1Br
InChIInChI=1S/C14H24BrN3O2/c1-3-11-13(15)12(18(4-2)17-11)9-16-14(10-19)5-7-20-8-6-14/h16,19H,3-10H2,1-2H3
InChIKeyICZBUNWVOUEWBH-UHFFFAOYSA-N
XLogP1.86
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol?
The IUPAC name of [4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol (CID 106297511) is [4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol is CCc1nn(CC)c(CNC2(CO)CCOCC2)c1Br.
What is the InChIKey of [4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol?
The InChIKey is ICZBUNWVOUEWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2/c1-3-11-13(15)12(18(4-2)17-11)9-16-14(10-19)5-7-20-8-6-14/h16,19H,3-10H2,1-2H3.
What are the key properties of [4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol?
[4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol has a molecular weight of 346.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol is sourced from PubChem (CID 106297511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).