N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine

C11H19N3O — CID 103854849

IUPACN-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NCC1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C11H19N3O/c1-9(11-7-13-14-8-11)12-6-10-2-4-15-5-3-10/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyOKTOBUDCFJLEFH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds4

About N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine

N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 103854849) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID103854849
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NCC1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C11H19N3O/c1-9(11-7-13-14-8-11)12-6-10-2-4-15-5-3-10/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyOKTOBUDCFJLEFH-UHFFFAOYSA-N
XLogP1.49
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103884007
N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide
CID 103854209
1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 62385198
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905109
3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one
CID 130619915
N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 104696536
1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 102976529
N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879207
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
CID 106209442
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine (CID 103854849) is N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine is CC(NCC1CCOCC1)c1cn[nH]c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is OKTOBUDCFJLEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(11-7-13-14-8-11)12-6-10-2-4-15-5-3-10/h7-10,12H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 103854849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).