1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol

C11H21N3O4 — CID 114255823

IUPAC1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCOCCOCC(O)CNc1cc(OC)n(C)n1
InChIInChI=1S/C11H21N3O4/c1-14-11(17-3)6-10(13-14)12-7-9(15)8-18-5-4-16-2/h6,9,15H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyFRGWLMKKJAJXBW-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.14
Rot. Bonds9

About 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol

1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol (PubChem CID 114255823) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol
PubChem CID114255823
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCOCCOCC(O)CNc1cc(OC)n(C)n1
InChIInChI=1S/C11H21N3O4/c1-14-11(17-3)6-10(13-14)12-7-9(15)8-18-5-4-16-2/h6,9,15H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyFRGWLMKKJAJXBW-UHFFFAOYSA-N
XLogP-0.14
TPSA77.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106990156
5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine
CID 114256046
1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 114252109
2-[(5-methoxy-1-methylpyrazol-3-yl)amino]ethanol
CID 130168341
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]propanamide
CID 114255815
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
1-(4-imidazol-1-ylbutylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989768
1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989211
1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 106989080

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol (CID 114255823) is 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol is COCCOCC(O)CNc1cc(OC)n(C)n1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol?
The InChIKey is FRGWLMKKJAJXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-14-11(17-3)6-10(13-14)12-7-9(15)8-18-5-4-16-2/h6,9,15H,4-5,7-8H2,1-3H3,(H,12,13).
What are the key properties of 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol?
1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol has a molecular weight of 259.31 g/mol, XLogP of -0.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propan-2-ol is sourced from PubChem (CID 114255823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).