2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine

C15H27N3O2 — CID 116765587

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2cc(C)nn2C)NC)CCOCC1
InChIInChI=1S/C15H27N3O2/c1-5-20-15(6-8-19-9-7-15)14(16-3)11-13-10-12(2)17-18(13)4/h10,14,16H,5-9,11H2,1-4H3
InChIKeyPHPKIHJCHWIAOA-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.44
Rot. Bonds6

About 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine (PubChem CID 116765587) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
PubChem CID116765587
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2cc(C)nn2C)NC)CCOCC1
InChIInChI=1S/C15H27N3O2/c1-5-20-15(6-8-19-9-7-15)14(16-3)11-13-10-12(2)17-18(13)4/h10,14,16H,5-9,11H2,1-4H3
InChIKeyPHPKIHJCHWIAOA-UHFFFAOYSA-N
XLogP1.44
TPSA48.31 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610827
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116765590
2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771
2-(2-chloro-4-methylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 106868855
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethyl]hydrazine
CID 105276730
4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81130976
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051149
2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765561
2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764669
1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116761834

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine (CID 116765587) is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine is CCOC1(C(Cc2cc(C)nn2C)NC)CCOCC1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The InChIKey is PHPKIHJCHWIAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-20-15(6-8-19-9-7-15)14(16-3)11-13-10-12(2)17-18(13)4/h10,14,16H,5-9,11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine has a molecular weight of 281.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 116765587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).