1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C15H27N3O2 — CID 116765492

IUPAC1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccn(C(C)C)n2)CCOCC1
InChIInChI=1S/C15H27N3O2/c1-4-20-15(6-9-19-10-7-15)14(16)11-13-5-8-18(17-13)12(2)3/h5,8,12,14H,4,6-7,9-11,16H2,1-3H3
InChIKeyRXRRQUKEEWYLHA-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.92
Rot. Bonds6

About 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 116765492) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID116765492
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccn(C(C)C)n2)CCOCC1
InChIInChI=1S/C15H27N3O2/c1-4-20-15(6-9-19-10-7-15)14(16)11-13-5-8-18(17-13)12(2)3/h5,8,12,14H,4,6-7,9-11,16H2,1-3H3
InChIKeyRXRRQUKEEWYLHA-UHFFFAOYSA-N
XLogP1.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116768134
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116770578
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764332
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066061
1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 116765435
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine
CID 65020049
4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81131226
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764841
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154955

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 116765492) is 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CCOC1(C(N)Cc2ccn(C(C)C)n2)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is RXRRQUKEEWYLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-20-15(6-9-19-10-7-15)14(16)11-13-5-8-18(17-13)12(2)3/h5,8,12,14H,4,6-7,9-11,16H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 116765492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).