2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine

C13H25N3O — CID 55087538

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)n1nc(C)cc1C
InChIInChI=1S/C13H25N3O/c1-5-17-8-6-7-14-10-13(4)16-12(3)9-11(2)15-16/h9,13-14H,5-8,10H2,1-4H3
InChIKeyWUJLKZZCIRMUIX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.08
Rot. Bonds8

About 2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine

2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 55087538) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine
PubChem CID55087538
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)n1nc(C)cc1C
InChIInChI=1S/C13H25N3O/c1-5-17-8-6-7-14-10-13(4)16-12(3)9-11(2)15-16/h9,13-14H,5-8,10H2,1-4H3
InChIKeyWUJLKZZCIRMUIX-UHFFFAOYSA-N
XLogP2.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine (CID 55087538) is 2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNCC(C)n1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is WUJLKZZCIRMUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-17-8-6-7-14-10-13(4)16-12(3)9-11(2)15-16/h9,13-14H,5-8,10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 55087538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).