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

C10H19N3O3 — CID 106990156

IUPAC1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCOCCOCC(O)CNc1ccn(C)n1
InChIInChI=1S/C10H19N3O3/c1-13-4-3-10(12-13)11-7-9(14)8-16-6-5-15-2/h3-4,9,14H,5-8H2,1-2H3,(H,11,12)
InChIKeyFSBIUWBXPSNGGI-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.14
Rot. Bonds8

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

1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (PubChem CID 106990156) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
PubChem CID106990156
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCOCCOCC(O)CNc1ccn(C)n1
InChIInChI=1S/C10H19N3O3/c1-13-4-3-10(12-13)11-7-9(14)8-16-6-5-15-2/h3-4,9,14H,5-8H2,1-2H3,(H,11,12)
InChIKeyFSBIUWBXPSNGGI-UHFFFAOYSA-N
XLogP-0.14
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.14
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (CID 106990156) is 1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is COCCOCC(O)CNc1ccn(C)n1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The InChIKey is FSBIUWBXPSNGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-13-4-3-10(12-13)11-7-9(14)8-16-6-5-15-2/h3-4,9,14H,5-8H2,1-2H3,(H,11,12).
What are the key properties of 1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol has a molecular weight of 229.28 g/mol, XLogP of -0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is sourced from PubChem (CID 106990156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).