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

C12H23N3O3 — CID 114252109

IUPAC1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
SMILESCOCCOCC(O)CNc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3O3/c1-10(2)15-5-4-12(14-15)13-8-11(16)9-18-7-6-17-3/h4-5,10-11,16H,6-9H2,1-3H3,(H,13,14)
InChIKeyNUUXCEUDJWDWEQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.90
Rot. Bonds9

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

1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol (PubChem CID 114252109) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
PubChem CID114252109
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
SMILESCOCCOCC(O)CNc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3O3/c1-10(2)15-5-4-12(14-15)13-8-11(16)9-18-7-6-17-3/h4-5,10-11,16H,6-9H2,1-3H3,(H,13,14)
InChIKeyNUUXCEUDJWDWEQ-UHFFFAOYSA-N
XLogP0.90
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.90
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-propan-2-ylpyrazol-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol (CID 114252109) is 1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol is COCCOCC(O)CNc1ccn(C(C)C)n1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol?
The InChIKey is NUUXCEUDJWDWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(2)15-5-4-12(14-15)13-8-11(16)9-18-7-6-17-3/h4-5,10-11,16H,6-9H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol?
1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 0.90, 9 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-propan-2-ylpyrazol-3-yl)amino]propan-2-ol is sourced from PubChem (CID 114252109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).