2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine

C14H25N3O2 — CID 104860914

IUPAC2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1c(C)nn(C)c1OC)CNCCOC
InChIInChI=1S/C14H25N3O2/c1-6-12(10-15-7-8-18-4)9-13-11(2)16-17(3)14(13)19-5/h9,15H,6-8,10H2,1-5H3
InChIKeyRBLGNTRETZETAY-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.77
Rot. Bonds8

About 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 104860914) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
PubChem CID104860914
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1c(C)nn(C)c1OC)CNCCOC
InChIInChI=1S/C14H25N3O2/c1-6-12(10-15-7-8-18-4)9-13-11(2)16-17(3)14(13)19-5/h9,15H,6-8,10H2,1-5H3
InChIKeyRBLGNTRETZETAY-UHFFFAOYSA-N
XLogP1.77
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine (CID 104860914) is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine is CCC(=Cc1c(C)nn(C)c1OC)CNCCOC.
What is the InChIKey of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is RBLGNTRETZETAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-12(10-15-7-8-18-4)9-13-11(2)16-17(3)14(13)19-5/h9,15H,6-8,10H2,1-5H3.
What are the key properties of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 104860914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).