1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol

C13H25N3O3 — CID 107462679

IUPAC1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCCOCCOCC(O)CNc1cn(C)nc1CC
InChIInChI=1S/C13H25N3O3/c1-4-12-13(9-16(3)15-12)14-8-11(17)10-19-7-6-18-5-2/h9,11,14,17H,4-8,10H2,1-3H3
InChIKeyRALJGVXLXWJUBU-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.81
Rot. Bonds10

About 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol

1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol (PubChem CID 107462679) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol
PubChem CID107462679
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol
SMILESCCOCCOCC(O)CNc1cn(C)nc1CC
InChIInChI=1S/C13H25N3O3/c1-4-12-13(9-16(3)15-12)14-8-11(17)10-19-7-6-18-5-2/h9,11,14,17H,4-8,10H2,1-3H3
InChIKeyRALJGVXLXWJUBU-UHFFFAOYSA-N
XLogP0.81
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol
CID 107462805
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107462870
1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 60897868
1-(2-ethoxyethoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900499
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
CID 107462730
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 102805094
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61467302
1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
CID 60897925
1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 107583006
1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol
CID 102805214

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol (CID 107462679) is 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol is CCOCCOCC(O)CNc1cn(C)nc1CC.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol?
The InChIKey is RALJGVXLXWJUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-12-13(9-16(3)15-12)14-8-11(17)10-19-7-6-18-5-2/h9,11,14,17H,4-8,10H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol?
1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol is sourced from PubChem (CID 107462679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).